2,5-Heptadien-4-ol, 2,6-dimethyl-, 4-acetate
Basic information
- CAS
72214-32-5- Standard SMILES
CC(=O)OC(C=C(C)C)C=C(C)C- InChIKey
RKHJPQZCUGVDID-UHFFFAOYSA-N- Molecular formula
- C11H18O2
- Average molar mass
- 182.26 g/mol
- Monoisotopic mass
- 182.13067981
Names & identifiers
- Preferred name
- 2,5-Heptadien-4-ol, 2,6-dimethyl-, 4-acetate
- IUPAC
- 2,6-dimethylhepta-2,5-dien-4-yl acetate
- English name
- 2,6-Dimethyl-2,5-heptadien-4-ol acetate
- Molecular formula
- C11H18O2
- Molecular weight
- 182.26
Names & synonyms
Diisobutenylmethyl acetate2,5-Heptadien-4-ol, 2,6-dimethyl-, acetate72214-32-52,5-Heptadien-4-ol, 2,6-dimethyl-, 4-acetateDTXSID50888113RefChem:83011DTXCID9010273952,6-dimethylhepta-2,5-dien-4-yl acetateRKHJPQZCUGVDID-UHFFFAOYSA-N2,6-Dimethyl-2,5-heptadien-4-ol acetate
Database identifiers
- CAS
72214-32-5- PubChem CID
- 3085759
- DTXSID
DTXSID50888113- Nikkaji
- J447.110E
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 210
Physicochemical properties
- EPA Substance Registry System
- 2 · 2,5-Heptadien-4-ol, 2,6-dimethyl-, acetate (72214-32-5)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2,5-Heptadien-4-ol, 2,6-dimethyl-, 4-acetate: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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