1-Isopropenyl-4-methylhex-5-enyl acetate
Completing data — refresh the page later to see the latest
Basic information
- CAS
61382-99-8- Standard SMILES
C=CC(C)CCC(OC(C)=O)C(=C)C- InChIKey
ATOCHKMVAHBPNF-UHFFFAOYSA-N- Molecular formula
- C12H20O2
- Average molar mass
- 196.29 g/mol
- Monoisotopic mass
- 196.14632988
Overview
See also: 1,7-Octadien-3-ol, 2,6-dimethyl-, acetate (annotation moved to).
Names & identifiers
- Preferred name
- 1-Isopropenyl-4-methylhex-5-enyl acetate
- IUPAC
- 2,6-dimethylocta-1,7-dien-3-yl acetate
- English name
- 1-isopropenyl-4-methylhex-5-enyl acetate
- Molecular formula
- C12H20O2
- Molecular weight
- 196.29
Names & synonyms
1-Isopropenyl-4-methylhex-5-enyl acetate61382-99-82,6-dimethylocta-1,7-dien-3-yl acetateEINECS 262-754-9DTXSID50976928ATOCHKMVAHBPNF-UHFFFAOYSA-N2,6-Dimethyl-1,7-octadien-3-ol, acetateDB-216138NS000539781,7-Octadien-3-ol, 2,6-dimethyl-, 3-acetate2,6-Dimethyl-1,7-octadien-3-ol acetateAcetic acid 4-methyl-1-(1-methylethenyl)-5-hexenyl ester
Database identifiers
- CAS
61382-99-8- PubChem CID
- 521972
- DTXSID
DTXSID50976928- EC Number
- 262-754-9
- Nikkaji
- J279.622H
Properties
Computed structural propertiesFilling in
- XLogP
- 3.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 218
Physicochemical properties
- Boiling point
- 249.9 · 249.9±19.0 °C(Predicted)
- Density
- 0.888 · 0.888±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…