3-Octen-1-ol

HCID 28937

Notes Reactions

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Basic information

CAS: 18185-81-4
Standard SMILES: CCCCC=CCCO
InChIKey: YDXQPTHHAPCTPP-UHFFFAOYSA-N
Molecular formula: C8H16O
Average molar mass: 128.21 g/mol
Monoisotopic mass: 128.12011513

Overview

3-Octen-1-ol has been reported in Malpighia emarginata, Malpighia glabra, and other organisms with data available.

Names & identifiers

Preferred name: 3-Octen-1-ol
IUPAC: oct-3-en-1-ol

Names & synonyms

3-OCTEN-1-OL18185-81-4DTXSID4066333RefChem:1068377DTXCID1035781242-071-2oct-3-en-1-ol(Z);-Oct-3-en-1-olSCHEMBL473592SCHEMBL5166350SCHEMBL8433079SCHEMBL15201509

Show more names

SCHEMBL29101308SB83900DB-045101NS00025983

Database identifiers

CAS: 18185-81-4
PubChem CID: 28937
DTXSID: DTXSID4066333
EC Number: 242-071-2

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 5
Heavy atoms: 9
Formal charge: 0
Complexity: 67

Chemistry & industry

Uses & manufacturing

General Manufacturing Information3-Octen-1-ol: INACTIVE

Related reactions

6 records

New reaction record

HRID 311002As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 801460As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 825519As productTest data from https://doi.org/10.1039/C8SC04228D

HRID 831016As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 945973As productValidation data from https://doi.org/10.1039/C8SC04228D

HRID 1145620As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

Compound notes

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