cyclohexyl-(1-hydroxy-2,3-dimethylcyclohexyl)methanone

C15H26O2 — CID 175856692

IUPACcyclohexyl-(1-hydroxy-2,3-dimethylcyclohexyl)methanone
SMILESCC1CCCC(O)(C(=O)C2CCCCC2)C1C
InChIInChI=1S/C15H26O2/c1-11-7-6-10-15(17,12(11)2)14(16)13-8-4-3-5-9-13/h11-13,17H,3-10H2,1-2H3
InChIKeySGQAACGIWYXNDT-UHFFFAOYSA-N
MW238.37 g/mol
LogP3.32
Rot. Bonds2

About cyclohexyl-(1-hydroxy-2,3-dimethylcyclohexyl)methanone

cyclohexyl-(1-hydroxy-2,3-dimethylcyclohexyl)methanone (PubChem CID 175856692) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is cyclohexyl-(1-hydroxy-2,3-dimethylcyclohexyl)methanone.

Molecular Properties

Compound Namecyclohexyl-(1-hydroxy-2,3-dimethylcyclohexyl)methanone
PubChem CID175856692
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Namecyclohexyl-(1-hydroxy-2,3-dimethylcyclohexyl)methanone
SMILESCC1CCCC(O)(C(=O)C2CCCCC2)C1C
InChIInChI=1S/C15H26O2/c1-11-7-6-10-15(17,12(11)2)14(16)13-8-4-3-5-9-13/h11-13,17H,3-10H2,1-2H3
InChIKeySGQAACGIWYXNDT-UHFFFAOYSA-N
XLogP3.32
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cycloheptyl-(1-methylcyclopropyl)methanone
CID 82931087
methyl 1-(cyclohexanecarbonyl)cyclopentane-1-carboxylate
CID 86032641
(2-amino-1-methylcyclopentyl)-cyclohexylmethanone
CID 116607149
methyl 4-(cyclohexanecarbonyl)bicyclo[2.2.2]octane-1-carboxylate
CID 134962529
cyclopentyl-[1-(dimethylamino)cycloheptyl]methanone
CID 79074263
1-[(1S,2R)-1-hydroxy-2-methylcyclopentyl]ethanone
CID 171582069
2,3-dimethyl-1-pyrrolidin-1-ylcyclohexane-1-carboxylic acid
CID 64756445
1-(cyclohexanecarbonyl)cyclopentane-1-carboxylic acid
CID 71397713
cyclooctyl-(2-methylthiolan-2-yl)methanone
CID 81450476
2,3-dimethyl-1-(methylamino)cyclohexane-1-carboxamide
CID 64754738
cyclobutyl-(1-methoxycyclobutyl)methanone
CID 116706787
formaldehyde;1,1,2,3-tetramethylcyclohexane
CID 175438935

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-(1-hydroxy-2,3-dimethylcyclohexyl)methanone?
The IUPAC name of cyclohexyl-(1-hydroxy-2,3-dimethylcyclohexyl)methanone (CID 175856692) is cyclohexyl-(1-hydroxy-2,3-dimethylcyclohexyl)methanone.
What is the SMILES notation for cyclohexyl-(1-hydroxy-2,3-dimethylcyclohexyl)methanone?
The canonical SMILES for cyclohexyl-(1-hydroxy-2,3-dimethylcyclohexyl)methanone is CC1CCCC(O)(C(=O)C2CCCCC2)C1C.
What is the InChIKey of cyclohexyl-(1-hydroxy-2,3-dimethylcyclohexyl)methanone?
The InChIKey is SGQAACGIWYXNDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c1-11-7-6-10-15(17,12(11)2)14(16)13-8-4-3-5-9-13/h11-13,17H,3-10H2,1-2H3.
What are the key properties of cyclohexyl-(1-hydroxy-2,3-dimethylcyclohexyl)methanone?
cyclohexyl-(1-hydroxy-2,3-dimethylcyclohexyl)methanone has a molecular weight of 238.37 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-(1-hydroxy-2,3-dimethylcyclohexyl)methanone is sourced from PubChem (CID 175856692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).