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Molecule
ID:132742
Structure
Similarity
Functional Group
Text
General Information
Structure
Molecular Formula
C₃₂H₆₄O₂
Molecular Mass
480.84936
Exact Mass
480.49063129
Charge
0
InChI
InChI=1S/C32H64O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-34-32(2)33/h3-31H2,1-2H3
InChIKey
OVQVOKLGCDAZBX-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)C
Isomeric Smiles
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
12.805233
LogD (pH = 7.4)
12.805233
Log P
12.805233
Molar Refractivity
150.9124
Polarizability
60.506657
Polar Surface Area
26.3
Rotatable Bonds
30
Lipinski's Rule of Five
false
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Molecule Details
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Bioactivity
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General Information
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IUPAC Traditional name
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IUPAC name
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PubChem SID
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From Data Sources
Bioactivity
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Data Source
Academic Data
PubChem
3084839
Commercial Catalog
Sigma Aldrich
T5399
Names and Identifiers
IUPAC Traditional name
triacontyl acetate
Synonyms
Triacontyl acetate
IUPAC name
triacontyl acetate
Registration numbers
MDL Number
MFCD00057785
PubChem SID
24900276
162227019
CAS Number
41755-58-2
PubChem CID
3084839
Properties
Safety Information
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
Source
Storage Temperature
2-8°C
Source
German water hazard class
3
Source
References
PubChem Literature
No Data Available
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Bioactivity
PubChem BioAssay