2-Heptanol, 2-methyl-, 2-acetate
Basic information
- CAS
45021-46-3- Standard SMILES
CCCCCC(C)(C)OC(C)=O- InChIKey
FSYCIDOKODUCKW-UHFFFAOYSA-N- Molecular formula
- C10H20O2
- Average molar mass
- 172.26 g/mol
- Monoisotopic mass
- 172.14632988
Names & identifiers
- Preferred name
- 2-Heptanol, 2-methyl-, 2-acetate
- IUPAC
- 2-methylheptan-2-yl acetate
Names & synonyms
2-Heptanol, 2-methyl-, 2-acetate2-methylheptan-2-yl acetate45021-46-32-Methyl-2-heptanol acetate1,1-Dimethylhexyl acetate #SCHEMBL12060187FSYCIDOKODUCKW-UHFFFAOYSA-NDTXSID501301838
Database identifiers
- CAS
45021-46-3- PubChem CID
- 539451
- DTXSID
DTXSID501301838
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 139
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…