hex-4-en-3-ol

C6H12O — CID 20930

IUPAChex-4-en-3-ol
SMILESCC=CC(O)CC
InChIInChI=1S/C6H12O/c1-3-5-6(7)4-2/h3,5-7H,4H2,1-2H3
InChIKeyKWUXUOPPQQMMIL-UHFFFAOYSA-N
MW100.16 g/mol
LogP1.33
Rot. Bonds2

About hex-4-en-3-ol

hex-4-en-3-ol (PubChem CID 20930) has the molecular formula C6H12O and a molecular weight of 100.16 g/mol. Its IUPAC name is hex-4-en-3-ol.

Molecular Properties

Compound Namehex-4-en-3-ol
PubChem CID20930
Molecular FormulaC6H12O
Molecular Weight100.16 g/mol
Exact Mass100.09
IUPAC Namehex-4-en-3-ol
SMILESCC=CC(O)CC
InChIInChI=1S/C6H12O/c1-3-5-6(7)4-2/h3,5-7H,4H2,1-2H3
InChIKeyKWUXUOPPQQMMIL-UHFFFAOYSA-N
XLogP1.33
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.16
LogP ≤ 51.33
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 hex-4-en-3-ol?
The IUPAC name of hex-4-en-3-ol (CID 20930) is hex-4-en-3-ol.
What is the SMILES notation for hex-4-en-3-ol?
The canonical SMILES for hex-4-en-3-ol is CC=CC(O)CC.
What is the InChIKey of hex-4-en-3-ol?
The InChIKey is KWUXUOPPQQMMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O/c1-3-5-6(7)4-2/h3,5-7H,4H2,1-2H3.
What are the key properties of hex-4-en-3-ol?
hex-4-en-3-ol has a molecular weight of 100.16 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hex-4-en-3-ol is sourced from PubChem (CID 20930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).