beta,4-Bis(methylene)cyclohexaneethanol
Basic information
- CAS
29548-13-8- Standard SMILES
C=C1CCC(C(=C)CO)CC1- InChIKey
SDDQNZKSVASSFO-UHFFFAOYSA-N- Molecular formula
- C10H16O
- Average molar mass
- 152.23 g/mol
- Monoisotopic mass
- 152.12011513
Overview
1(7),8(10)-p-Menthadien-9-ol is a p-menthane monoterpenoid.
Names & identifiers
- Preferred name
- beta,4-Bis(methylene)cyclohexaneethanol
- IUPAC
- 2-(4-methylidenecyclohexyl)prop-2-en-1-ol
- English name
- 2-(4-methylidenecyclohexyl)prop-2-en-1-ol
- Molecular formula
- C10H16O
- Molecular weight
- 152.23
Names & synonyms
29548-13-8BETA,4-BIS(METHYLENE)CYCLOHEXANEETHANOLDTXSID50183731RefChem:1079560DTXCID90106222p-Mentha-1(7),8(10)-dien-9-ol2-(4-methylidenecyclohexyl)prop-2-en-1-ol1(7),8(10)-p-Menthadien-9-olSCHEMBL15319201CHEBI:228937SDDQNZKSVASSFO-UHFFFAOYSA-N2-(4-Methylenecyclohexyl)-2-propen-1-ol
Show more names
Cyclohexaneethanol, β,4-bis(methylene)-
DB-2390162-(4-Methylenecyclohexyl)-2-propen-1-ol #
Database identifiers
- CAS
29548-13-8- PubChem CID
- 34627
- DTXSID
DTXSID50183731- ChEBI
CHEBI:228937- Nikkaji
- J100.036E
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 160
Physicochemical properties
- Boiling point
- 235.3 · 235.3±29.0 °C(Predicted)
- Density
- 0.9521 g/cm3 · 0.9521 g/cm3
- pka
- 14.74 · 14.74±0.10(Predicted)
- LogP
- 2.64 · 2.640 (est)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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