2-hydroxy-2-methylcyclooctane-1,4-dione

C9H14O3 — CID 90777328

IUPAC2-hydroxy-2-methylcyclooctane-1,4-dione
SMILESCC1(O)CC(=O)CCCCC1=O
InChIInChI=1S/C9H14O3/c1-9(12)6-7(10)4-2-3-5-8(9)11/h12H,2-6H2,1H3
InChIKeyIJRIAEPGPFVIAT-UHFFFAOYSA-N
MW170.21 g/mol
LogP0.84
Rot. Bonds

About 2-hydroxy-2-methylcyclooctane-1,4-dione

2-hydroxy-2-methylcyclooctane-1,4-dione (PubChem CID 90777328) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is 2-hydroxy-2-methylcyclooctane-1,4-dione.

Molecular Properties

Compound Name2-hydroxy-2-methylcyclooctane-1,4-dione
PubChem CID90777328
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name2-hydroxy-2-methylcyclooctane-1,4-dione
SMILESCC1(O)CC(=O)CCCCC1=O
InChIInChI=1S/C9H14O3/c1-9(12)6-7(10)4-2-3-5-8(9)11/h12H,2-6H2,1H3
InChIKeyIJRIAEPGPFVIAT-UHFFFAOYSA-N
XLogP0.84
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-hydroxy-2-methylcyclooctane-1,4-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

(2R)-2-hydroxy-2-methylcyclopentan-1-one
CID 13397596
trans-(2S,5S)-2,5-dihydroxy-2,5-dimethylcyclohexane-1,4-dione
CID 97161679
3-hydroxy-3-methylcyclopentadecan-1-one
CID 11311367
3,3-dimethylcycloheptan-1-one
CID 12702041
(3aR,7aR)-7a-hydroxy-3a-methyl-3,5,6,7-tetrahydro-1H-indene-2,4-dione
CID 11105987
1-methyl-2-oxocycloheptane-1-carboxylic acid
CID 19704452
(3R)-3-iodo-3-methylcyclohexan-1-one
CID 165020728
2,3,3-trihydroxy-2-methylcyclohexan-1-one
CID 67931536
3-methyl-3-sulfanylcyclohexan-1-one
CID 86138947
spiro[4.6]undecan-10-one
CID 15638085
cycloheptanone;cyclohexanone;cyclopentanone;ethane
CID 158721030
1,10-dibromobicyclo[8.1.0]undecane-3,8-dione
CID 15400037

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methylcyclooctane-1,4-dione?
The IUPAC name of 2-hydroxy-2-methylcyclooctane-1,4-dione (CID 90777328) is 2-hydroxy-2-methylcyclooctane-1,4-dione.
What is the SMILES notation for 2-hydroxy-2-methylcyclooctane-1,4-dione?
The canonical SMILES for 2-hydroxy-2-methylcyclooctane-1,4-dione is CC1(O)CC(=O)CCCCC1=O.
What is the InChIKey of 2-hydroxy-2-methylcyclooctane-1,4-dione?
The InChIKey is IJRIAEPGPFVIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O3/c1-9(12)6-7(10)4-2-3-5-8(9)11/h12H,2-6H2,1H3.
What are the key properties of 2-hydroxy-2-methylcyclooctane-1,4-dione?
2-hydroxy-2-methylcyclooctane-1,4-dione has a molecular weight of 170.21 g/mol, XLogP of 0.84, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methylcyclooctane-1,4-dione is sourced from PubChem (CID 90777328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).