2,8-dihydroxynonan-5-one

C9H18O3 — CID 174799972

IUPAC2,8-dihydroxynonan-5-one
SMILESCC(O)CCC(=O)CCC(C)O
InChIInChI=1S/C9H18O3/c1-7(10)3-5-9(12)6-4-8(2)11/h7-8,10-11H,3-6H2,1-2H3
InChIKeyQXJOOVODTUIBQR-UHFFFAOYSA-N
MW174.24 g/mol
LogP0.88
Rot. Bonds6

About 2,8-dihydroxynonan-5-one

2,8-dihydroxynonan-5-one (PubChem CID 174799972) has the molecular formula C9H18O3 and a molecular weight of 174.24 g/mol. Its IUPAC name is 2,8-dihydroxynonan-5-one.

Molecular Properties

Compound Name2,8-dihydroxynonan-5-one
PubChem CID174799972
Molecular FormulaC9H18O3
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Name2,8-dihydroxynonan-5-one
SMILESCC(O)CCC(=O)CCC(C)O
InChIInChI=1S/C9H18O3/c1-7(10)3-5-9(12)6-4-8(2)11/h7-8,10-11H,3-6H2,1-2H3
InChIKeyQXJOOVODTUIBQR-UHFFFAOYSA-N
XLogP0.88
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,8-dihydroxynonan-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(6S)-6-hydroxyheptan-3-one
CID 163026982
2,10-dihydroxyundecan-6-one
CID 56979503
(5S)-5-hydroxyhexan-2-one
CID 11491928
5-hydroxy-2-oxohexanal
CID 54288089
acetic acid;hexane-2,5-diol
CID 71365730
8-hydroxy-2,11-dimethyldodecan-5-one
CID 54387052
8-hydroxy-2-methylnonan-4-one
CID 57006312
1-cyclopropyl-4-hydroxypentan-1-one
CID 15726184
(2E)-2-ethylidene-5-hydroxyhexanoic acid
CID 87271164
hexanedioic acid;hexane-2,5-diol
CID 160536258
ethane;hexane-2,5-diol
CID 143963822
4-hydroxy-N-(3-methylbutyl)pentanamide
CID 79001671

Frequently Asked Questions

What is the IUPAC name of 2,8-dihydroxynonan-5-one?
The IUPAC name of 2,8-dihydroxynonan-5-one (CID 174799972) is 2,8-dihydroxynonan-5-one.
What is the SMILES notation for 2,8-dihydroxynonan-5-one?
The canonical SMILES for 2,8-dihydroxynonan-5-one is CC(O)CCC(=O)CCC(C)O.
What is the InChIKey of 2,8-dihydroxynonan-5-one?
The InChIKey is QXJOOVODTUIBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3/c1-7(10)3-5-9(12)6-4-8(2)11/h7-8,10-11H,3-6H2,1-2H3.
What are the key properties of 2,8-dihydroxynonan-5-one?
2,8-dihydroxynonan-5-one has a molecular weight of 174.24 g/mol, XLogP of 0.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dihydroxynonan-5-one is sourced from PubChem (CID 174799972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).