(3R)-3-(1-hydroxy-2-methylpropan-2-yl)cyclohexan-1-one

C10H18O2 — CID 102386469

IUPAC(3R)-3-(1-hydroxy-2-methylpropan-2-yl)cyclohexan-1-one
SMILESCC(C)(CO)[C@@H]1CCCC(=O)C1
InChIInChI=1S/C10H18O2/c1-10(2,7-11)8-4-3-5-9(12)6-8/h8,11H,3-7H2,1-2H3/t8-/m1/s1
InChIKeyYLVQEMRTYCLHHY-MRVPVSSYSA-N
MW170.25 g/mol
LogP1.76
Rot. Bonds2

About (3R)-3-(1-hydroxy-2-methylpropan-2-yl)cyclohexan-1-one

(3R)-3-(1-hydroxy-2-methylpropan-2-yl)cyclohexan-1-one (PubChem CID 102386469) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (3R)-3-(1-hydroxy-2-methylpropan-2-yl)cyclohexan-1-one.

Molecular Properties

Compound Name(3R)-3-(1-hydroxy-2-methylpropan-2-yl)cyclohexan-1-one
PubChem CID102386469
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(3R)-3-(1-hydroxy-2-methylpropan-2-yl)cyclohexan-1-one
SMILESCC(C)(CO)[C@@H]1CCCC(=O)C1
InChIInChI=1S/C10H18O2/c1-10(2,7-11)8-4-3-5-9(12)6-8/h8,11H,3-7H2,1-2H3/t8-/m1/s1
InChIKeyYLVQEMRTYCLHHY-MRVPVSSYSA-N
XLogP1.76
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 ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Serricornin
CID 194454
2-Methyl-2-(4-oxocyclohexyl)propanoic acid
CID 86690103
2-(3-Hydroxypropyl)cyclododecanone
CID 10130987
2-(3-Hydroxypropyl)cyclohexan-1-one
CID 12244234
6-Undecanone, 1,11-dihydroxy-2,2,10,10-tetramethyl-
CID 9899878
9-Hydroxy-3-(6-hydroxy-5,5-dimethylhexyl)-8,8-dimethylnonan-2-one
CID 11638232
3-Hydroxymegastigman-9-one
CID 91748727
cis-(4S,5S)-4-hydroxy-4-(2-hydroxyethyl)-3,3,5-trimethylcyclohexan-1-one
CID 10821909
trans-(4R,5S)-4-[(3R)-3-hydroxybutyl]-5-(hydroxymethyl)-3,3-dimethylcyclohexan-1-one
CID 14587390
4-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethylcyclohexyl]butan-2-one
CID 16216868
8-Hydroxy-2,6-dimethyloctan-3-one
CID 3019961
4-Hydroxy-3,3,5-trimethylcyclohexanone
CID 21200670

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(1-hydroxy-2-methylpropan-2-yl)cyclohexan-1-one?
The IUPAC name of (3R)-3-(1-hydroxy-2-methylpropan-2-yl)cyclohexan-1-one (CID 102386469) is (3R)-3-(1-hydroxy-2-methylpropan-2-yl)cyclohexan-1-one.
What is the SMILES notation for (3R)-3-(1-hydroxy-2-methylpropan-2-yl)cyclohexan-1-one?
The canonical SMILES for (3R)-3-(1-hydroxy-2-methylpropan-2-yl)cyclohexan-1-one is CC(C)(CO)[C@@H]1CCCC(=O)C1.
What is the InChIKey of (3R)-3-(1-hydroxy-2-methylpropan-2-yl)cyclohexan-1-one?
The InChIKey is YLVQEMRTYCLHHY-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H18O2/c1-10(2,7-11)8-4-3-5-9(12)6-8/h8,11H,3-7H2,1-2H3/t8-/m1/s1.
What are the key properties of (3R)-3-(1-hydroxy-2-methylpropan-2-yl)cyclohexan-1-one?
(3R)-3-(1-hydroxy-2-methylpropan-2-yl)cyclohexan-1-one has a molecular weight of 170.25 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(1-hydroxy-2-methylpropan-2-yl)cyclohexan-1-one is sourced from PubChem (CID 102386469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).