5-hydroxynon-1-en-4-one

C9H16O2 — CID 87258847

IUPAC5-hydroxynon-1-en-4-one
SMILESC=CCC(=O)C(O)CCCC
InChIInChI=1S/C9H16O2/c1-3-5-7-9(11)8(10)6-4-2/h4,9,11H,2-3,5-7H2,1H3
InChIKeyVXMCMPHBMFMIJQ-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.68
Rot. Bonds6

About 5-hydroxynon-1-en-4-one

5-hydroxynon-1-en-4-one (PubChem CID 87258847) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 5-hydroxynon-1-en-4-one.

Molecular Properties

Compound Name5-hydroxynon-1-en-4-one
PubChem CID87258847
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name5-hydroxynon-1-en-4-one
SMILESC=CCC(=O)C(O)CCCC
InChIInChI=1S/C9H16O2/c1-3-5-7-9(11)8(10)6-4-2/h4,9,11H,2-3,5-7H2,1H3
InChIKeyVXMCMPHBMFMIJQ-UHFFFAOYSA-N
XLogP1.68
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-hydroxynon-1-en-4-one 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 5-hydroxynon-1-en-4-one?
The IUPAC name of 5-hydroxynon-1-en-4-one (CID 87258847) is 5-hydroxynon-1-en-4-one.
What is the SMILES notation for 5-hydroxynon-1-en-4-one?
The canonical SMILES for 5-hydroxynon-1-en-4-one is C=CCC(=O)C(O)CCCC.
What is the InChIKey of 5-hydroxynon-1-en-4-one?
The InChIKey is VXMCMPHBMFMIJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-3-5-7-9(11)8(10)6-4-2/h4,9,11H,2-3,5-7H2,1H3.
What are the key properties of 5-hydroxynon-1-en-4-one?
5-hydroxynon-1-en-4-one has a molecular weight of 156.22 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxynon-1-en-4-one is sourced from PubChem (CID 87258847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).