oct-2-en-1-ol

C8H16O — CID 29060

IUPACoct-2-en-1-ol
SMILESCCCCCC=CCO
InChIInChI=1S/C8H16O/c1-2-3-4-5-6-7-8-9/h6-7,9H,2-5,8H2,1H3
InChIKeyAYQPVPFZWIQERS-UHFFFAOYSA-N
MW128.21 g/mol
LogP2.12
Rot. Bonds5

About oct-2-en-1-ol

oct-2-en-1-ol (PubChem CID 29060) has the molecular formula C8H16O and a molecular weight of 128.21 g/mol. Its IUPAC name is oct-2-en-1-ol.

Molecular Properties

Compound Nameoct-2-en-1-ol
PubChem CID29060
Molecular FormulaC8H16O
Molecular Weight128.21 g/mol
Exact Mass128.12
IUPAC Nameoct-2-en-1-ol
SMILESCCCCCC=CCO
InChIInChI=1S/C8H16O/c1-2-3-4-5-6-7-8-9/h6-7,9H,2-5,8H2,1H3
InChIKeyAYQPVPFZWIQERS-UHFFFAOYSA-N
XLogP2.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.21
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze oct-2-en-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Geraniol
CID 637566
Farnesol
CID 445070
Nerol
CID 643820
2-Hexen-1-ol
CID 5318042
trans-2,cis-6-Nonadienol
CID 5362833
(2-cis,6-trans)-Farnesol
CID 1549108
Geranylgeraniol
CID 5281365
2-Penten-1-ol
CID 5364920
2-Octen-1-ol, (2E)-
CID 5318599
2-Nonen-1-ol, (2E)-
CID 5364941
2-Undecen-1-ol, (2E)-
CID 5365004
2-Decenol, (2E)-
CID 5364942

Frequently Asked Questions

What is the IUPAC name of oct-2-en-1-ol?
The IUPAC name of oct-2-en-1-ol (CID 29060) is oct-2-en-1-ol.
What is the SMILES notation for oct-2-en-1-ol?
The canonical SMILES for oct-2-en-1-ol is CCCCCC=CCO.
What is the InChIKey of oct-2-en-1-ol?
The InChIKey is AYQPVPFZWIQERS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O/c1-2-3-4-5-6-7-8-9/h6-7,9H,2-5,8H2,1H3.
What are the key properties of oct-2-en-1-ol?
oct-2-en-1-ol has a molecular weight of 128.21 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for oct-2-en-1-ol is sourced from PubChem (CID 29060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).