(3E,5E)-octa-3,5-dien-1-ol

C8H14O — CID 87170471

IUPAC(3E,5E)-octa-3,5-dien-1-ol
SMILESCC/C=C/C=C/CCO
InChIInChI=1S/C8H14O/c1-2-3-4-5-6-7-8-9/h3-6,9H,2,7-8H2,1H3/b4-3+,6-5+
InChIKeyZVVFQUSSYQVVJC-VNKDHWASSA-N
MW126.20 g/mol
LogP1.89
Rot. Bonds4

About (3E,5E)-octa-3,5-dien-1-ol

(3E,5E)-octa-3,5-dien-1-ol (PubChem CID 87170471) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is (3E,5E)-octa-3,5-dien-1-ol.

Molecular Properties

Compound Name(3E,5E)-octa-3,5-dien-1-ol
PubChem CID87170471
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name(3E,5E)-octa-3,5-dien-1-ol
SMILESCC/C=C/C=C/CCO
InChIInChI=1S/C8H14O/c1-2-3-4-5-6-7-8-9/h3-6,9H,2,7-8H2,1H3/b4-3+,6-5+
InChIKeyZVVFQUSSYQVVJC-VNKDHWASSA-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'}

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Frequently Asked Questions

What is the IUPAC name of (3E,5E)-octa-3,5-dien-1-ol?
The IUPAC name of (3E,5E)-octa-3,5-dien-1-ol (CID 87170471) is (3E,5E)-octa-3,5-dien-1-ol.
What is the SMILES notation for (3E,5E)-octa-3,5-dien-1-ol?
The canonical SMILES for (3E,5E)-octa-3,5-dien-1-ol is CC/C=C/C=C/CCO.
What is the InChIKey of (3E,5E)-octa-3,5-dien-1-ol?
The InChIKey is ZVVFQUSSYQVVJC-VNKDHWASSA-N. The full InChI is InChI=1S/C8H14O/c1-2-3-4-5-6-7-8-9/h3-6,9H,2,7-8H2,1H3/b4-3+,6-5+.
What are the key properties of (3E,5E)-octa-3,5-dien-1-ol?
(3E,5E)-octa-3,5-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 (3E,5E)-octa-3,5-dien-1-ol is sourced from PubChem (CID 87170471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).