1-(1-hydroxycyclohexyl)-2,2-dimethylpropan-1-one

C11H20O2 — CID 11789898

IUPAC1-(1-hydroxycyclohexyl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)C1(O)CCCCC1
InChIInChI=1S/C11H20O2/c1-10(2,3)9(12)11(13)7-5-4-6-8-11/h13H,4-8H2,1-3H3
InChIKeyVRNHRIBENYNKRN-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.30
Rot. Bonds1

About 1-(1-hydroxycyclohexyl)-2,2-dimethylpropan-1-one

1-(1-hydroxycyclohexyl)-2,2-dimethylpropan-1-one (PubChem CID 11789898) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-(1-hydroxycyclohexyl)-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-(1-hydroxycyclohexyl)-2,2-dimethylpropan-1-one
PubChem CID11789898
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name1-(1-hydroxycyclohexyl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)C1(O)CCCCC1
InChIInChI=1S/C11H20O2/c1-10(2,3)9(12)11(13)7-5-4-6-8-11/h13H,4-8H2,1-3H3
InChIKeyVRNHRIBENYNKRN-UHFFFAOYSA-N
XLogP2.30
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,6,6-Trimethyl-2-hydroxycyclohexanone
CID 101115
1-Acetylcyclohexanol
CID 70745
3-Hydroxy-3-methyl-2,4-nonanedione
CID 12003251
2-Hydroxy-2-methylcyclohexan-1-one
CID 12395949
2-Propanone, 1-(1-hydroxycyclohexyl)-
CID 91383
2-Ethyl-2-hydroxycyclohexan-1-one
CID 12395952
1-(1-Hydroxycyclohexyl)butan-1-one
CID 13115545
2-Acetyl-2-hydroxycyclohexanon
CID 86186161
5-Dodecanone, 6-butyl-6-hydroxy-
CID 109330
2-Hydroxy-1-(1-methylcyclohexyl)propan-1-one
CID 85753830
(+)-4-Hydroxy-p-menth-3-one
CID 12608339
1-Hydroxycyclohexyl ketone
CID 18471209

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxycyclohexyl)-2,2-dimethylpropan-1-one?
The IUPAC name of 1-(1-hydroxycyclohexyl)-2,2-dimethylpropan-1-one (CID 11789898) is 1-(1-hydroxycyclohexyl)-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-(1-hydroxycyclohexyl)-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-(1-hydroxycyclohexyl)-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)C1(O)CCCCC1.
What is the InChIKey of 1-(1-hydroxycyclohexyl)-2,2-dimethylpropan-1-one?
The InChIKey is VRNHRIBENYNKRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-10(2,3)9(12)11(13)7-5-4-6-8-11/h13H,4-8H2,1-3H3.
What are the key properties of 1-(1-hydroxycyclohexyl)-2,2-dimethylpropan-1-one?
1-(1-hydroxycyclohexyl)-2,2-dimethylpropan-1-one has a molecular weight of 184.28 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxycyclohexyl)-2,2-dimethylpropan-1-one is sourced from PubChem (CID 11789898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).