Basic information
- CAS
30801-96-8- Standard SMILES
CCC/C(C)=C/CO- InChIKey
CKWCTBJSFBLMOH-FNORWQNLSA-N- Molecular formula
- C7H14O
- Average molar mass
- 114.19 g/mol
- Monoisotopic mass
- 114.10446507
Names & identifiers
- Preferred name
- (2E)-3-Methylhex-2-en-1-ol
- IUPAC
- (E)-3-methylhex-2-en-1-ol
- English name
- (E)-3-Methyl-2-hexen-1-ol
- Molecular formula
- C7H14O
- Molecular weight
- 114.19
Names & synonyms
30801-96-8(2E)-3-methylhex-2-en-1-olDTXSID00873534RefChem:1049787DTXCID401612(E)-3-methylhex-2-en-1-ol2-Hexen-1-ol, 3-methyl-, (E)-2-Hexen-1-ol, 3-methyl-, (2E)-3-METHYL-2-HEXEN-1-OL (E)(E)-3-Methyl-2-hexen-1-ol1-Hydroxy-3-methyl-2-hexeneSCHEMBL4971321
Show more names
SCHEMBL9441743(E)-3-methyl-hex-2-en-1-olCKWCTBJSFBLMOH-FNORWQNLSA-N(2E)-3-Methyl-2-hexen-1-ol #AKOS006290061CS-0258444EN300-7017978
Database identifiers
- CAS
30801-96-8- PubChem CID
- 5284494
- DTXSID
DTXSID00873534- Nikkaji
- J99.917B
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 74.5
Physicochemical properties
- Boiling point
- 178 · 178.0±8.0 °C(Predicted)
- Density
- 0.845 · 0.845±0.06 g/cm3(Predicted)
- pka
- 14.47 · 14.47±0.10(Predicted)
Chemistry & industry
Suppliers2 total
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
上海海皋科技有限公司021-57646680 18306277365 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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