1-Penten-3-ol, 1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-
Basic information
- CAS
68259-41-6- Standard SMILES
CCC(O)C=CC1=C(C)CCCC1(C)C- InChIKey
DZSNHSUUMHDJRJ-UHFFFAOYSA-N- Molecular formula
- C14H24O
- Average molar mass
- 208.34 g/mol
- Monoisotopic mass
- 208.18271539
Names & identifiers
- Preferred name
- 1-Penten-3-ol, 1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-
- IUPAC
- 1-(2,6,6-trimethylcyclohexen-1-yl)pent-1-en-3-ol
Names & synonyms
1-Penten-3-ol, 1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-Methyl beta-ionolDTXSID8088872793840-90-5EINECS 298-957-4RefChem:76893DTXCID0010280031-Penten-3-ol, 1-(2,2,6-trimethylcyclohexyl)-, didehydro deriv.68259-41-6SCHEMBL7643377DZSNHSUUMHDJRJ-UHFFFAOYSA-NNS00063556
Show more names
1-(2,6,6-TRIMETHYLCYCLOHEX-1-EN-1-YL)PENT-1-EN-3-OL
Database identifiers
- CAS
68259-41-6、93840-90-5- PubChem CID
- 109264
- DTXSID
DTXSID80888727- EC Number
- 298-957-4
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 271
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory Information
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
1-Penten-3-ol, 1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-: Does not have an individual approval but may be used under an appropriate group standard
Chemistry & industry
Uses & manufacturing
General Manufacturing Information
1-Penten-3-ol, 1-(2,2,6-trimethylcyclohexyl)-, didehydro deriv.: INACTIVE
1-Penten-3-ol, 1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-: ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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