(3E,5E)-octa-3,5-dien-2-ol

C8H14O — CID 5364580

IUPAC(3E,5E)-octa-3,5-dien-2-ol
SMILESCC/C=C/C=C/C(C)O
InChIInChI=1S/C8H14O/c1-3-4-5-6-7-8(2)9/h4-9H,3H2,1-2H3/b5-4+,7-6+
InChIKeyRQQKJGCMOJSSOV-YTXTXJHMSA-N
MW126.20 g/mol
LogP1.89
Rot. Bonds3

About (3E,5E)-octa-3,5-dien-2-ol

(3E,5E)-octa-3,5-dien-2-ol (PubChem CID 5364580) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is (3E,5E)-octa-3,5-dien-2-ol.

Molecular Properties

Compound Name(3E,5E)-octa-3,5-dien-2-ol
PubChem CID5364580
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name(3E,5E)-octa-3,5-dien-2-ol
SMILESCC/C=C/C=C/C(C)O
InChIInChI=1S/C8H14O/c1-3-4-5-6-7-8(2)9/h4-9H,3H2,1-2H3/b5-4+,7-6+
InChIKeyRQQKJGCMOJSSOV-YTXTXJHMSA-N
XLogP1.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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 (3E,5E)-octa-3,5-dien-2-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3E,5E)-octa-3,5-dien-2-ol?
The IUPAC name of (3E,5E)-octa-3,5-dien-2-ol (CID 5364580) is (3E,5E)-octa-3,5-dien-2-ol.
What is the SMILES notation for (3E,5E)-octa-3,5-dien-2-ol?
The canonical SMILES for (3E,5E)-octa-3,5-dien-2-ol is CC/C=C/C=C/C(C)O.
What is the InChIKey of (3E,5E)-octa-3,5-dien-2-ol?
The InChIKey is RQQKJGCMOJSSOV-YTXTXJHMSA-N. The full InChI is InChI=1S/C8H14O/c1-3-4-5-6-7-8(2)9/h4-9H,3H2,1-2H3/b5-4+,7-6+.
What are the key properties of (3E,5E)-octa-3,5-dien-2-ol?
(3E,5E)-octa-3,5-dien-2-ol has a molecular weight of 126.20 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-octa-3,5-dien-2-ol is sourced from PubChem (CID 5364580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).