3-ethenylidenehex-5-en-2-ol

C8H12O — CID 11815862

IUPAC3-ethenylidenehex-5-en-2-ol
SMILESC=C=C(CC=C)C(C)O
InChIInChI=1S/C8H12O/c1-4-6-8(5-2)7(3)9/h4,7,9H,1-2,6H2,3H3
InChIKeyWHZISSQTGOBRPG-UHFFFAOYSA-N
MW124.18 g/mol
LogP1.65
Rot. Bonds3

About 3-ethenylidenehex-5-en-2-ol

3-ethenylidenehex-5-en-2-ol (PubChem CID 11815862) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is 3-ethenylidenehex-5-en-2-ol.

Molecular Properties

Compound Name3-ethenylidenehex-5-en-2-ol
PubChem CID11815862
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Name3-ethenylidenehex-5-en-2-ol
SMILESC=C=C(CC=C)C(C)O
InChIInChI=1S/C8H12O/c1-4-6-8(5-2)7(3)9/h4,7,9H,1-2,6H2,3H3
InChIKeyWHZISSQTGOBRPG-UHFFFAOYSA-N
XLogP1.65
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.18
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethenylidenehex-5-en-2-ol?
The IUPAC name of 3-ethenylidenehex-5-en-2-ol (CID 11815862) is 3-ethenylidenehex-5-en-2-ol.
What is the SMILES notation for 3-ethenylidenehex-5-en-2-ol?
The canonical SMILES for 3-ethenylidenehex-5-en-2-ol is C=C=C(CC=C)C(C)O.
What is the InChIKey of 3-ethenylidenehex-5-en-2-ol?
The InChIKey is WHZISSQTGOBRPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O/c1-4-6-8(5-2)7(3)9/h4,7,9H,1-2,6H2,3H3.
What are the key properties of 3-ethenylidenehex-5-en-2-ol?
3-ethenylidenehex-5-en-2-ol has a molecular weight of 124.18 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenylidenehex-5-en-2-ol is sourced from PubChem (CID 11815862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).