1-hydroxydodecane-2,10-dione

C12H22O3 — CID 158814981

IUPAC1-hydroxydodecane-2,10-dione
SMILESCCC(=O)CCCCCCCC(=O)CO
InChIInChI=1S/C12H22O3/c1-2-11(14)8-6-4-3-5-7-9-12(15)10-13/h13H,2-10H2,1H3
InChIKeyZQAPYUIOXHKPIS-UHFFFAOYSA-N
MW214.30 g/mol
LogP2.26
Rot. Bonds10

About 1-hydroxydodecane-2,10-dione

1-hydroxydodecane-2,10-dione (PubChem CID 158814981) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is 1-hydroxydodecane-2,10-dione.

Molecular Properties

Compound Name1-hydroxydodecane-2,10-dione
PubChem CID158814981
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Name1-hydroxydodecane-2,10-dione
SMILESCCC(=O)CCCCCCCC(=O)CO
InChIInChI=1S/C12H22O3/c1-2-11(14)8-6-4-3-5-7-9-12(15)10-13/h13H,2-10H2,1H3
InChIKeyZQAPYUIOXHKPIS-UHFFFAOYSA-N
XLogP2.26
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-hydroxydodecane-2,10-dione 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

methane;undecane-3,9-dione
CID 158816586
tetracosane-3,13-dione
CID 143607999
9-oxoundecanoic acid
CID 5282986
1-hydroxyheptadecane-2,9-dione
CID 153452315
decan-3-one;hydrochloride
CID 22446547
pentadecane-2,13-dione
CID 58143587
heptadecane-3,7,11,15-tetrone
CID 160942813
22-hydroxytricos-22-en-3-one
CID 170097377
14-aminotetradecan-3-one
CID 178176766
pentadecane-2,7,13-trione
CID 154620463
hexadecane-3,6-dione
CID 154449726
decan-4-one;heptan-3-one
CID 158463149

Frequently Asked Questions

What is the IUPAC name of 1-hydroxydodecane-2,10-dione?
The IUPAC name of 1-hydroxydodecane-2,10-dione (CID 158814981) is 1-hydroxydodecane-2,10-dione.
What is the SMILES notation for 1-hydroxydodecane-2,10-dione?
The canonical SMILES for 1-hydroxydodecane-2,10-dione is CCC(=O)CCCCCCCC(=O)CO.
What is the InChIKey of 1-hydroxydodecane-2,10-dione?
The InChIKey is ZQAPYUIOXHKPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3/c1-2-11(14)8-6-4-3-5-7-9-12(15)10-13/h13H,2-10H2,1H3.
What are the key properties of 1-hydroxydodecane-2,10-dione?
1-hydroxydodecane-2,10-dione has a molecular weight of 214.30 g/mol, XLogP of 2.26, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxydodecane-2,10-dione is sourced from PubChem (CID 158814981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).