Basic information
- CAS
96346-76-8- Standard SMILES
C/C=C/C(O)C(C)C- InChIKey
WFRYPJOHULJNDS-SNAWJCMRSA-N- Molecular formula
- C7H14O
- Average molar mass
- 114.19 g/mol
- Monoisotopic mass
- 114.10446507
Names & identifiers
- Preferred name
- trans-2-Methyl-4-hexen-3-ol
- IUPAC
- (E)-2-methylhex-4-en-3-ol
- English name
- TRANS-2-METHYL-4-HEXEN-3-OL
- Molecular formula
- C7H14O
- Molecular weight
- 114.19
Names & synonyms
trans-2-Methyl-4-hexen-3-ol96346-76-8RefChem:11002252-Methyl-4-hexen-3-ol4-Hexen-3-ol, 2-methyl-2-Hexen-4-ol, 5-methyl-SCHEMBL7157512SCHEMBL8418779(e)-2-methyl-4-hexen-3-ol(4E)-2-Methyl-4-hexen-3-olAKOS006271803DB-309434
Show more names
4-Hexen-3-ol, 2-methyl-, (4E)-
Database identifiers
- CAS
96346-76-8- PubChem CID
- 5366236
- Nikkaji
- J432.481A、J950.254H
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 74.5
Physicochemical properties
- Boiling point
- 141.9 · 141.9±8.0 °C(Predicted)
- Density
- 0.839 · 0.839±0.06 g/cm3(Predicted)
- pka
- 14 · 14+-.0.20(Predicted)
Chemistry & industry
Suppliers2 total
Xuzhou B&C Chemical Technology Co., Ltd+86-400-0516-021 +86-15190678838 · [email protected]
徐州博康化学科技股份有限公司051686297676 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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