3,7-Dimethyloct-6-en-2-yl acetate
Basic information
- CAS
15103-31-8- Standard SMILES
CC(=O)OC(C)C(C)CCC=C(C)C- InChIKey
ZUFHJEXSOHWOKU-UHFFFAOYSA-N- Molecular formula
- C12H22O2
- Average molar mass
- 198.3 g/mol
- Monoisotopic mass
- 198.16197994
Overview
See also: 6-Octen-2-ol, 3,7-dimethyl-, acetate (annotation moved to).
Names & identifiers
- Preferred name
- 3,7-Dimethyloct-6-en-2-yl acetate
- IUPAC
- 3,7-dimethyloct-6-en-2-yl acetate
- English name
- 3,7-dimethyloct-6-en-2-yl acetate
- Molecular formula
- C12H22O2
- Molecular weight
- 198.30188
Names & synonyms
3,7-Dimethyloct-6-en-2-yl acetate15103-31-8EINECS 239-154-0DTXSID60934155ZUFHJEXSOHWOKU-UHFFFAOYSA-NNS00051767Q45311593,7-Dimethyl-6-octen-2-ol acetate6-Octen-2-ol, 3,7-dimethyl-, 2-acetate
Database identifiers
- CAS
15103-31-8- PubChem CID
- 85799
- DTXSID
DTXSID60934155- EC Number
- 239-154-0
- Nikkaji
- J241.393K
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 202
Physicochemical properties
- Boiling point
- 253.4 · 253.4±19.0 °C(Predicted)
- Density
- 0.884 · 0.884±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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