9-hydroxynonan-4-one

C9H18O2 — CID 11412527

IUPAC9-hydroxynonan-4-one
SMILESCCCC(=O)CCCCCO
InChIInChI=1S/C9H18O2/c1-2-6-9(11)7-4-3-5-8-10/h10H,2-8H2,1H3
InChIKeyAGSKJBKUKWUEEU-UHFFFAOYSA-N
MW158.24 g/mol
LogP1.91
Rot. Bonds7

About 9-hydroxynonan-4-one

9-hydroxynonan-4-one (PubChem CID 11412527) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is 9-hydroxynonan-4-one.

Molecular Properties

Compound Name9-hydroxynonan-4-one
PubChem CID11412527
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name9-hydroxynonan-4-one
SMILESCCCC(=O)CCCCCO
InChIInChI=1S/C9H18O2/c1-2-6-9(11)7-4-3-5-8-10/h10H,2-8H2,1H3
InChIKeyAGSKJBKUKWUEEU-UHFFFAOYSA-N
XLogP1.91
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-hydroxynonan-4-one?
The IUPAC name of 9-hydroxynonan-4-one (CID 11412527) is 9-hydroxynonan-4-one.
What is the SMILES notation for 9-hydroxynonan-4-one?
The canonical SMILES for 9-hydroxynonan-4-one is CCCC(=O)CCCCCO.
What is the InChIKey of 9-hydroxynonan-4-one?
The InChIKey is AGSKJBKUKWUEEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2/c1-2-6-9(11)7-4-3-5-8-10/h10H,2-8H2,1H3.
What are the key properties of 9-hydroxynonan-4-one?
9-hydroxynonan-4-one has a molecular weight of 158.24 g/mol, XLogP of 1.91, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxynonan-4-one is sourced from PubChem (CID 11412527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).