3-ethylidenehex-4-en-1-ol

C8H14O — CID 54172976

IUPAC3-ethylidenehex-4-en-1-ol
SMILESCC=CC(=CC)CCO
InChIInChI=1S/C8H14O/c1-3-5-8(4-2)6-7-9/h3-5,9H,6-7H2,1-2H3
InChIKeyOWHSMNLMMNWYBK-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.89
Rot. Bonds3

About 3-ethylidenehex-4-en-1-ol

3-ethylidenehex-4-en-1-ol (PubChem CID 54172976) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is 3-ethylidenehex-4-en-1-ol.

Molecular Properties

Compound Name3-ethylidenehex-4-en-1-ol
PubChem CID54172976
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name3-ethylidenehex-4-en-1-ol
SMILESCC=CC(=CC)CCO
InChIInChI=1S/C8H14O/c1-3-5-8(4-2)6-7-9/h3-5,9H,6-7H2,1-2H3
InChIKeyOWHSMNLMMNWYBK-UHFFFAOYSA-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'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethylidenehex-4-en-1-ol?
The IUPAC name of 3-ethylidenehex-4-en-1-ol (CID 54172976) is 3-ethylidenehex-4-en-1-ol.
What is the SMILES notation for 3-ethylidenehex-4-en-1-ol?
The canonical SMILES for 3-ethylidenehex-4-en-1-ol is CC=CC(=CC)CCO.
What is the InChIKey of 3-ethylidenehex-4-en-1-ol?
The InChIKey is OWHSMNLMMNWYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c1-3-5-8(4-2)6-7-9/h3-5,9H,6-7H2,1-2H3.
What are the key properties of 3-ethylidenehex-4-en-1-ol?
3-ethylidenehex-4-en-1-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 3-ethylidenehex-4-en-1-ol is sourced from PubChem (CID 54172976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).