1,1-dicyclohexyl-1-hydroxypropan-2-one

C15H26O2 — CID 102386350

IUPAC1,1-dicyclohexyl-1-hydroxypropan-2-one
SMILESCC(=O)C(O)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C15H26O2/c1-12(16)15(17,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h13-14,17H,2-11H2,1H3
InChIKeyQOVLXUKZAUDUHR-UHFFFAOYSA-N
MW238.37 g/mol
LogP3.47
Rot. Bonds3

About 1,1-dicyclohexyl-1-hydroxypropan-2-one

1,1-dicyclohexyl-1-hydroxypropan-2-one (PubChem CID 102386350) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 1,1-dicyclohexyl-1-hydroxypropan-2-one.

Molecular Properties

Compound Name1,1-dicyclohexyl-1-hydroxypropan-2-one
PubChem CID102386350
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name1,1-dicyclohexyl-1-hydroxypropan-2-one
SMILESCC(=O)C(O)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C15H26O2/c1-12(16)15(17,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h13-14,17H,2-11H2,1H3
InChIKeyQOVLXUKZAUDUHR-UHFFFAOYSA-N
XLogP3.47
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1,1-dicyclohexyl-1-hydroxypropan-2-one 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

3-cyclohexyl-3-methylbutan-2-one
CID 20782049
acetic acid;tert-butylcyclohexane
CID 69013500
2-cyclohexyl-2-methylpropanoate
CID 57470554
2,3-dicyclohexylbutane-2,3-diol
CID 50741678
1-cyclooctylethane-1,1-diol
CID 22410754
2-cyclononadecylpropan-2-ol
CID 126587376
(2-cyclohexyl-3-oxobutan-2-yl) acetate
CID 70573535
2-cyclooctylpropan-2-ol
CID 27966
2-cyclohexyl-2-hydroxy-2-(2-methylphenyl)acetic acid
CID 83725276
2-cyclooctyl-2-hydroxy-3-methylbutanoic acid
CID 79303151
2-cyclohexylpropan-2-ol;methanamine
CID 155735582
2-cyclohexylpropan-2-yl hydroxy carbonate
CID 23207841

Frequently Asked Questions

What is the IUPAC name of 1,1-dicyclohexyl-1-hydroxypropan-2-one?
The IUPAC name of 1,1-dicyclohexyl-1-hydroxypropan-2-one (CID 102386350) is 1,1-dicyclohexyl-1-hydroxypropan-2-one.
What is the SMILES notation for 1,1-dicyclohexyl-1-hydroxypropan-2-one?
The canonical SMILES for 1,1-dicyclohexyl-1-hydroxypropan-2-one is CC(=O)C(O)(C1CCCCC1)C1CCCCC1.
What is the InChIKey of 1,1-dicyclohexyl-1-hydroxypropan-2-one?
The InChIKey is QOVLXUKZAUDUHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c1-12(16)15(17,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h13-14,17H,2-11H2,1H3.
What are the key properties of 1,1-dicyclohexyl-1-hydroxypropan-2-one?
1,1-dicyclohexyl-1-hydroxypropan-2-one has a molecular weight of 238.37 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dicyclohexyl-1-hydroxypropan-2-one is sourced from PubChem (CID 102386350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).