(2E,4E)-octa-2,4-dien-1-ol

C8H14O — CID 6436488

IUPAC(2E,4E)-octa-2,4-dien-1-ol
SMILESCCC/C=C/C=C/CO
InChIInChI=1S/C8H14O/c1-2-3-4-5-6-7-8-9/h4-7,9H,2-3,8H2,1H3/b5-4+,7-6+
InChIKeyLMBAOEUOOJDUBP-YTXTXJHMSA-N
MW126.20 g/mol
LogP1.89
Rot. Bonds4

About (2E,4E)-octa-2,4-dien-1-ol

(2E,4E)-octa-2,4-dien-1-ol (PubChem CID 6436488) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is (2E,4E)-octa-2,4-dien-1-ol.

Molecular Properties

Compound Name(2E,4E)-octa-2,4-dien-1-ol
PubChem CID6436488
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name(2E,4E)-octa-2,4-dien-1-ol
SMILESCCC/C=C/C=C/CO
InChIInChI=1S/C8H14O/c1-2-3-4-5-6-7-8-9/h4-7,9H,2-3,8H2,1H3/b5-4+,7-6+
InChIKeyLMBAOEUOOJDUBP-YTXTXJHMSA-N
XLogP1.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2E,4E)-octa-2,4-dien-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

CID 5318042
CID 5318042
CID 5362833
CID 5362833
CID 5364920
CID 5364920
CID 5318599
CID 5318599
CID 5362696
CID 5362696
CID 5364919
CID 5364919
CID 15306
CID 15306
CID 29060
CID 29060
CID 5318017
CID 5318017
CID 34134
CID 34134
CID 5367391
CID 5367391
CID 5324489
CID 5324489

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-octa-2,4-dien-1-ol?
The IUPAC name of (2E,4E)-octa-2,4-dien-1-ol (CID 6436488) is (2E,4E)-octa-2,4-dien-1-ol.
What is the SMILES notation for (2E,4E)-octa-2,4-dien-1-ol?
The canonical SMILES for (2E,4E)-octa-2,4-dien-1-ol is CCC/C=C/C=C/CO.
What is the InChIKey of (2E,4E)-octa-2,4-dien-1-ol?
The InChIKey is LMBAOEUOOJDUBP-YTXTXJHMSA-N. The full InChI is InChI=1S/C8H14O/c1-2-3-4-5-6-7-8-9/h4-7,9H,2-3,8H2,1H3/b5-4+,7-6+.
What are the key properties of (2E,4E)-octa-2,4-dien-1-ol?
(2E,4E)-octa-2,4-dien-1-ol has a molecular weight of 126.20 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-octa-2,4-dien-1-ol is sourced from PubChem (CID 6436488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).