methyl 4-(2-cyclopentyl-2-oxoethyl)cyclohexane-1-carboxylate

C15H24O3 — CID 130283512

IUPACmethyl 4-(2-cyclopentyl-2-oxoethyl)cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(CC(=O)C2CCCC2)CC1
InChIInChI=1S/C15H24O3/c1-18-15(17)13-8-6-11(7-9-13)10-14(16)12-4-2-3-5-12/h11-13H,2-10H2,1H3
InChIKeyASURWBNAMBVSEV-UHFFFAOYSA-N
MW252.35 g/mol
LogP3.12
Rot. Bonds4

About methyl 4-(2-cyclopentyl-2-oxoethyl)cyclohexane-1-carboxylate

methyl 4-(2-cyclopentyl-2-oxoethyl)cyclohexane-1-carboxylate (PubChem CID 130283512) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is methyl 4-(2-cyclopentyl-2-oxoethyl)cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2-cyclopentyl-2-oxoethyl)cyclohexane-1-carboxylate
PubChem CID130283512
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Namemethyl 4-(2-cyclopentyl-2-oxoethyl)cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(CC(=O)C2CCCC2)CC1
InChIInChI=1S/C15H24O3/c1-18-15(17)13-8-6-11(7-9-13)10-14(16)12-4-2-3-5-12/h11-13H,2-10H2,1H3
InChIKeyASURWBNAMBVSEV-UHFFFAOYSA-N
XLogP3.12
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

dimethyl cycloheptane-1,4-dicarboxylate
CID 139878536
ethane;methyl cyclohexanecarboxylate
CID 90871014
methyl 4-ethylcyclohexane-1-carboxylate;hydrochloride
CID 163685796
methyl cyclobutanecarboxylate;hydrate
CID 175300594
2-cyclopentyl-1-(4-methylcyclohexyl)ethanone
CID 62621954
methyl 4-(bromomethyl)cyclohexane-1-carboxylate
CID 19688454
2-cyclopentyl-1-(3-ethylcyclopentyl)ethanone
CID 65408905
cyclopentanecarboxylic acid;methyl cyclopentanecarboxylate;bis(sulfur trioxide)
CID 160909551
methyl 4-[5-(4-methoxycarbonylcyclohexyl)-3-methylidenepentyl]cyclohexane-1-carboxylate
CID 142000663
methyl 4-[2-[(2-cyclopentylacetyl)amino]ethylcarbamoyl]cyclohexane-1-carboxylate
CID 91646964
cyclopentanecarboxylic acid;methane;methyl cyclopentanecarboxylate
CID 162270399
methyl 4-[2-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]ethyl]cyclohexane-1-carboxylate
CID 70376540

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-cyclopentyl-2-oxoethyl)cyclohexane-1-carboxylate?
The IUPAC name of methyl 4-(2-cyclopentyl-2-oxoethyl)cyclohexane-1-carboxylate (CID 130283512) is methyl 4-(2-cyclopentyl-2-oxoethyl)cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 4-(2-cyclopentyl-2-oxoethyl)cyclohexane-1-carboxylate?
The canonical SMILES for methyl 4-(2-cyclopentyl-2-oxoethyl)cyclohexane-1-carboxylate is COC(=O)C1CCC(CC(=O)C2CCCC2)CC1.
What is the InChIKey of methyl 4-(2-cyclopentyl-2-oxoethyl)cyclohexane-1-carboxylate?
The InChIKey is ASURWBNAMBVSEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3/c1-18-15(17)13-8-6-11(7-9-13)10-14(16)12-4-2-3-5-12/h11-13H,2-10H2,1H3.
What are the key properties of methyl 4-(2-cyclopentyl-2-oxoethyl)cyclohexane-1-carboxylate?
methyl 4-(2-cyclopentyl-2-oxoethyl)cyclohexane-1-carboxylate has a molecular weight of 252.35 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-cyclopentyl-2-oxoethyl)cyclohexane-1-carboxylate is sourced from PubChem (CID 130283512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).