Molfinder
主页
技术支持
关于我们
数据来源
数据统计
博客
Molecule
ID:135145
Structure
Similarity
Functional Group
Text
General Information
Structure
Molecular Formula
C₅H₁₀
Molecular Mass
71.12555484
Exact Mass
71.08160516
Charge
0
InChI
InChI=1S/C5H10/c1-4-5(2)3/h4H,1-3H3/i5+1
InChIKey
BKOOMYPCSUNDGP-HOSYLAQJSA-N
Canonic Smiles
CC=[13C](C)C
Isomeric Smiles
CC=[13C](C)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.1234403
LogD (pH = 7.4)
2.1234403
Log P
2.1234403
Molar Refractivity
25.6048
Polarizability
9.757488
Polar Surface Area
0.0
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
Loading...
References
Loading...
Bioactivity
Loading...
Quote
Download
Navigation
General Information
Calculated Properties
•
RDKit
•
JChem
Data Source
•
Commercial Catalog
•
Academic Data
Names and Identifiers
•
IUPAC name
•
Synonyms
•
IUPAC Traditional name
Registration numbers
•
MDL Number
•
PubChem CID
•
PubChem SID
Properties
•
Product Information
•
Physical Property
•
Safety Information
Related Proteins
Molecular Spectra
Molecule Details
•
Sigma Aldrich
References
•
PubChem Literature
•
From Data Sources
Bioactivity
•
PubChem BioAssay
Data Source
Commercial Catalog
Sigma Aldrich
604461
Academic Data
PubChem
71309112
Names and Identifiers
IUPAC name
2-methyl(2-
1
3
C)but-2-ene
Synonyms
2-Methyl-2-butene-2-13C
2-甲基-2-丁烯-2-13C
IUPAC Traditional name
2-methyl(2-
1
3
C)but-2-ene
Registration numbers
MDL Number
MFCD04118166
PubChem CID
71309112
PubChem SID
162229420
Molecule Details
Sigma Aldrich
604461
Packaging
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.
References
PubChem Literature
No Data Available
Click here to submit data
Bioactivity
PubChem BioAssay
Properties
Product Information
Mol. Weight
mol wt 71.12 by atom % calculation
Source
Isotopic Purity
99 atom % 13C
Source
Linear Formula
CH3CH=13C(CH3)2
Source
Physical Property
Density
0.671 g/mL(lit.)
Source
Mass Shift
M+1
Source
35-38 °C(lit.)
Source
-134 °C(lit.)
Source
Safety Information
Download link
Source
Boiling Point
Melting Point
MSDS Link