2-hydroxy-4,5-dimethylcyclohexan-1-one

C8H14O2 — CID 91573785

IUPAC2-hydroxy-4,5-dimethylcyclohexan-1-one
SMILESCC1CC(=O)C(O)CC1C
InChIInChI=1S/C8H14O2/c1-5-3-7(9)8(10)4-6(5)2/h5-7,9H,3-4H2,1-2H3
InChIKeyPRZOHJDVWVDZIF-UHFFFAOYSA-N
MW142.20 g/mol
LogP0.98
Rot. Bonds

About 2-hydroxy-4,5-dimethylcyclohexan-1-one

2-hydroxy-4,5-dimethylcyclohexan-1-one (PubChem CID 91573785) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 2-hydroxy-4,5-dimethylcyclohexan-1-one.

Molecular Properties

Compound Name2-hydroxy-4,5-dimethylcyclohexan-1-one
PubChem CID91573785
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name2-hydroxy-4,5-dimethylcyclohexan-1-one
SMILESCC1CC(=O)C(O)CC1C
InChIInChI=1S/C8H14O2/c1-5-3-7(9)8(10)4-6(5)2/h5-7,9H,3-4H2,1-2H3
InChIKeyPRZOHJDVWVDZIF-UHFFFAOYSA-N
XLogP0.98
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-hydroxy-5-methyl-2-propan-2-ylcyclohexan-1-one
CID 525916
2,3-dimethylcyclobutan-1-one
CID 544588
cis-(2R,3S)-2,3-dimethylcyclobutan-1-one
CID 22213570
2,5-dihydroxy-3-methylcyclohexan-1-one
CID 130036383
(4E,11E)-15-hydroxy-3,13-dimethylcyclopentadeca-4,11-dien-1-one
CID 20640365
(4S)-2-hydroxy-4,5,5-trimethylcyclohexan-1-one
CID 123845260
20-hydroxy-3,18-dimethylcycloicos-10-en-1-one
CID 67314307
(2S,4R,5R)-4,5-dihydroxy-2-methylcyclohexan-1-one
CID 131160826
4,5-dimethylcyclohexane-1,2-diol
CID 13429582
trans-(1S,2S)-2-methylcyclopropan-1-ol
CID 13410812
(1S,5S,6R)-6-methylbicyclo[3.2.0]heptan-3-one
CID 89088579
5-ethyl-2-hydroxycyclohexan-1-one
CID 89053782

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4,5-dimethylcyclohexan-1-one?
The IUPAC name of 2-hydroxy-4,5-dimethylcyclohexan-1-one (CID 91573785) is 2-hydroxy-4,5-dimethylcyclohexan-1-one.
What is the SMILES notation for 2-hydroxy-4,5-dimethylcyclohexan-1-one?
The canonical SMILES for 2-hydroxy-4,5-dimethylcyclohexan-1-one is CC1CC(=O)C(O)CC1C.
What is the InChIKey of 2-hydroxy-4,5-dimethylcyclohexan-1-one?
The InChIKey is PRZOHJDVWVDZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-5-3-7(9)8(10)4-6(5)2/h5-7,9H,3-4H2,1-2H3.
What are the key properties of 2-hydroxy-4,5-dimethylcyclohexan-1-one?
2-hydroxy-4,5-dimethylcyclohexan-1-one has a molecular weight of 142.20 g/mol, XLogP of 0.98, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4,5-dimethylcyclohexan-1-one is sourced from PubChem (CID 91573785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).