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Molecule
ID:134441
Structure
Similarity
Functional Group
Text
General Information
Structure
Molecular Formula
C₁₃H₂₄O₃Si
Molecular Mass
256.41336
Exact Mass
256.14947116
Charge
0
InChI
InChI=1S/C13H24O3Si/c1-4-14-17(15-5-2,16-6-3)13-10-11-7-8-12(13)9-11/h7-8,11-13H,4-6,9-10H2,1-3H3/t11-,12+,13?/m0/s1
InChIKey
HHKDWDAAEFGBAC-LAGVYOHYSA-N
Canonic Smiles
CCO[Si](C1C[C@@H]2C[C@H]1C=C2)(OCC)OCC
Isomeric Smiles
CCO[Si](C1C[C@@H]2C[C@H]1C=C2)(OCC)OCC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.7564
LogD (pH = 7.4)
2.7564
Log P
2.7564
Molar Refractivity
65.7072
Polarizability
27.989712
Polar Surface Area
27.69
Rotatable Bonds
7
Lipinski's Rule of Five
true
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Related Proteins
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Molecular Spectra
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Molecule Details
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Bioactivity
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General Information
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Related Proteins
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Molecule Details
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From Data Sources
Bioactivity
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PubChem BioAssay
Data Source
Commercial Catalog
Sigma Aldrich
14355
Academic Data
PubChem
11054286
Registration numbers
Beilstein Number
3294009
EC Number
242-278-8
PubChem SID
24848594
162228717
CAS Number
18401-43-9
MDL Number
MFCD00167591
PubChem CID
11054286
References
PubChem Literature
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Bioactivity
PubChem BioAssay
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PubChem SID
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CAS Number
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PubChem CID
Properties
Product Information
Grade
technical
Source
Empirical Formula (Hill Notation)
C13H24O3Si
Source
Safety Information
GHS Signal Word
Warning
Source
MSDS Link
Download link
Source
Personal Protective Equipment
Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Source
H315
-
H319
-
H335
Source
Irritant (Xi)
36/37/38
Source
26
-
36
Source
3
Source
Acute toxicity (oral, dermal, inhalation), category 4
Skin irritation, category 2
Eye irritation, category 2
Skin sensitisation, category 1
Specific Target Organ Toxicity – Single exposure, category 3
P261
-
P305+P351+P338
Source
Physical Property
0.99 g/mL at 20 °C(lit.)
Source
208.4 °F
Source
98 °C
Source
n20/D 1.45
Source
Source
Source
GHS Hazard statements
European Hazard Symbols
Risk Statements
Safety Statements
German water hazard class
GHS Pictograms
GHS Precautionary statements
Density
Flash Point
Refractive Index
Names and Identifiers
Synonyms
5-(Triethoxysilyl)-2-norbornene
二环[2.2.1]-5-庚烯-2-基三乙氧基硅烷
5-(Triethoxysilyl)bicyclo[2.2.1]hept-2-ene
5-(三乙氧基甲硅烷基)-2-降冰片烯
(Bicyclo[2.2.1]hept-5-en-2-yl)triethoxysilane
5-(三乙氧基甲硅烷基)双环[2.2.1]庚-2-烯
IUPAC Traditional name
(1S,4S)-bicyclo[2.2.1]hept-5-en-2-yltriethoxysilane
IUPAC name
(1S,4S)-bicyclo[2.2.1]hept-5-en-2-yltriethoxysilane
Names and Identifiers
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Synonyms
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IUPAC Traditional name
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IUPAC name