2-(1-hydroxypropan-2-yl)-5-methylcyclohexan-1-one

C10H18O2 — CID 57055171

IUPAC2-(1-hydroxypropan-2-yl)-5-methylcyclohexan-1-one
SMILESCC1CCC(C(C)CO)C(=O)C1
InChIInChI=1S/C10H18O2/c1-7-3-4-9(8(2)6-11)10(12)5-7/h7-9,11H,3-6H2,1-2H3
InChIKeyOVVORYLZOZFTDP-UHFFFAOYSA-N
MW170.25 g/mol
LogP1.62
Rot. Bonds2

About 2-(1-hydroxypropan-2-yl)-5-methylcyclohexan-1-one

2-(1-hydroxypropan-2-yl)-5-methylcyclohexan-1-one (PubChem CID 57055171) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 2-(1-hydroxypropan-2-yl)-5-methylcyclohexan-1-one.

Molecular Properties

Compound Name2-(1-hydroxypropan-2-yl)-5-methylcyclohexan-1-one
PubChem CID57055171
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name2-(1-hydroxypropan-2-yl)-5-methylcyclohexan-1-one
SMILESCC1CCC(C(C)CO)C(=O)C1
InChIInChI=1S/C10H18O2/c1-7-3-4-9(8(2)6-11)10(12)5-7/h7-9,11H,3-6H2,1-2H3
InChIKeyOVVORYLZOZFTDP-UHFFFAOYSA-N
XLogP1.62
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(Hydroxymethyl)-2-octanone
CID 62148
2-Nonanone, 3-(hydroxymethyl)-
CID 106823
4-Hydroxypiperitone
CID 525916
2-(3-Hydroxypropyl)cyclododecanone
CID 10130987
2-(3-Hydroxypropyl)cyclohexan-1-one
CID 12244234
4-Hydroxy-4-(propan-2-yl)cyclohexan-1-one
CID 58641594
29-Hydroxy-3,11-dimethyl-2-nonacosanone
CID 205990
trans-(2R,5R)-5-(2-hydroxypropan-2-yl)-2-methyl-2-(4-oxopentyl)cyclohexan-1-one
CID 11172838
trans-(4R,5S)-4-[(3R)-3-hydroxybutyl]-5-(hydroxymethyl)-3,3-dimethylcyclohexan-1-one
CID 14587390
8-Hydroxy-2,6-dimethyloctan-3-one
CID 3019961
4-(3-Hydroxybutyl)-3,3,5-trimethylcyclohexanone
CID 131752728
trans-(2R,5R)-5-[(2R)-1,2-dihydroxypropan-2-yl]-2-methyl-2-(4-oxopentyl)cyclohexan-1-one
CID 11043837

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxypropan-2-yl)-5-methylcyclohexan-1-one?
The IUPAC name of 2-(1-hydroxypropan-2-yl)-5-methylcyclohexan-1-one (CID 57055171) is 2-(1-hydroxypropan-2-yl)-5-methylcyclohexan-1-one.
What is the SMILES notation for 2-(1-hydroxypropan-2-yl)-5-methylcyclohexan-1-one?
The canonical SMILES for 2-(1-hydroxypropan-2-yl)-5-methylcyclohexan-1-one is CC1CCC(C(C)CO)C(=O)C1.
What is the InChIKey of 2-(1-hydroxypropan-2-yl)-5-methylcyclohexan-1-one?
The InChIKey is OVVORYLZOZFTDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-7-3-4-9(8(2)6-11)10(12)5-7/h7-9,11H,3-6H2,1-2H3.
What are the key properties of 2-(1-hydroxypropan-2-yl)-5-methylcyclohexan-1-one?
2-(1-hydroxypropan-2-yl)-5-methylcyclohexan-1-one has a molecular weight of 170.25 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxypropan-2-yl)-5-methylcyclohexan-1-one is sourced from PubChem (CID 57055171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).