2-Methyl-6-methylene-2-octyl propionate
Basic information
- CAS
96846-66-1- Standard SMILES
C=C(CC)CCCC(C)(C)OC(=O)CC- InChIKey
TYPHWLKITZTPGB-UHFFFAOYSA-N- Molecular formula
- C13H24O2
- Average molar mass
- 212.33 g/mol
- Monoisotopic mass
- 212.17763
Names & identifiers
- Preferred name
- 2-Methyl-6-methylene-2-octyl propionate
- IUPAC
- (2-methyl-6-methylideneoctan-2-yl) propanoate
- English name
- 2-methyl-6-methylene-2-octyl propionate
- Molecular formula
- C13H24O2
- Molecular weight
- 212.32846
Names & synonyms
2-Methyl-6-methylene-2-octyl propionate96846-66-1EINECS 306-302-12-METHYL-6-METHYLIDENEOCTAN-2-YL PROPANOATESCHEMBL20212075DTXSID40242588TYPHWLKITZTPGB-UHFFFAOYSA-NEINECS 306-302-1, 2-Methyl-6-methylene-2-octyl propionate, 96846-66-1(2-methyl-6-methylideneoctan-2-yl) propanoatePropanoic acid 2-methyl-6-methyleneoctan-2-yl ester
Database identifiers
- CAS
96846-66-1- PubChem CID
- 44148151
- DTXSID
DTXSID40242588- EC Number
- 306-302-1
- Nikkaji
- J333.670K
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 217
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Compound notes
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