5-Methyl-5-hexen-3-ol

HCID 144263

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Basic information

CAS: 67760-89-8
Standard SMILES: C=C(C)CC(O)CC
InChIKey: LZJQEGCYVOMQID-UHFFFAOYSA-N
Molecular formula: C7H14O
Average molar mass: 114.19 g/mol
Monoisotopic mass: 114.10446507

Names & identifiers

Preferred name: 5-Methyl-5-hexen-3-ol
IUPAC: 5-methylhex-5-en-3-ol

Names & synonyms

5-Methyl-5-hexen-3-olRefChem:10731275-methylhex-5-en-3-ol67760-89-889794-39-8SCHEMBL618507SCHEMBL854809SCHEMBL7757938DTXSID00987089AKOS006273784DB-055062

Database identifiers

CAS: 67760-89-8
PubChem CID: 144263
DTXSID: DTXSID00987089
Nikkaji: J1.367.397G

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 3
Heavy atoms: 8
Formal charge: 0
Complexity: 76.5

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