methyl 1-(cyclohexanecarbonyl)cyclopentane-1-carboxylate

C14H22O3 — CID 86032641

IUPACmethyl 1-(cyclohexanecarbonyl)cyclopentane-1-carboxylate
SMILESCOC(=O)C1(C(=O)C2CCCCC2)CCCC1
InChIInChI=1S/C14H22O3/c1-17-13(16)14(9-5-6-10-14)12(15)11-7-3-2-4-8-11/h11H,2-10H2,1H3
InChIKeyHCTDQVQOXGDQIF-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.87
Rot. Bonds3

About methyl 1-(cyclohexanecarbonyl)cyclopentane-1-carboxylate

methyl 1-(cyclohexanecarbonyl)cyclopentane-1-carboxylate (PubChem CID 86032641) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is methyl 1-(cyclohexanecarbonyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(cyclohexanecarbonyl)cyclopentane-1-carboxylate
PubChem CID86032641
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Namemethyl 1-(cyclohexanecarbonyl)cyclopentane-1-carboxylate
SMILESCOC(=O)C1(C(=O)C2CCCCC2)CCCC1
InChIInChI=1S/C14H22O3/c1-17-13(16)14(9-5-6-10-14)12(15)11-7-3-2-4-8-11/h11H,2-10H2,1H3
InChIKeyHCTDQVQOXGDQIF-UHFFFAOYSA-N
XLogP2.87
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

methyl 4-(cyclohexanecarbonyl)bicyclo[2.2.2]octane-1-carboxylate
CID 134962529
1-(cyclohexanecarbonyl)cyclopentane-1-carboxylic acid
CID 71397713
trans-methyl (1S,2R)-2-hydroxy-1-methylcyclohexane-1-carboxylate
CID 126686787
cycloheptyl-(1-methylcyclopropyl)methanone
CID 82931087
methyl 1-(cyclohexylamino)cyclohexane-1-carboxylate
CID 54892504
dimethyl bicyclo[5.1.0]octane-8,8-dicarboxylate
CID 14547848
dimethyl cyclotetradeca-3,4-diene-1,1-dicarboxylate
CID 177452576
cyclopentyl-[1-(dimethylamino)cycloheptyl]methanone
CID 79074263
methyl 1-(3-methoxy-3-oxoprop-1-en-2-yl)cyclohexane-1-carboxylate
CID 105483862
ethane;methyl cyclohexanecarboxylate
CID 90871014
methyl 1-[cyclopentyl(methyl)carbamoyl]cyclobutane-1-carboxylate
CID 115184272
1-cyclohexyloxycarbonylcyclopentane-1-carboxylic acid
CID 90449500

Frequently Asked Questions

What is the IUPAC name of methyl 1-(cyclohexanecarbonyl)cyclopentane-1-carboxylate?
The IUPAC name of methyl 1-(cyclohexanecarbonyl)cyclopentane-1-carboxylate (CID 86032641) is methyl 1-(cyclohexanecarbonyl)cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 1-(cyclohexanecarbonyl)cyclopentane-1-carboxylate?
The canonical SMILES for methyl 1-(cyclohexanecarbonyl)cyclopentane-1-carboxylate is COC(=O)C1(C(=O)C2CCCCC2)CCCC1.
What is the InChIKey of methyl 1-(cyclohexanecarbonyl)cyclopentane-1-carboxylate?
The InChIKey is HCTDQVQOXGDQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3/c1-17-13(16)14(9-5-6-10-14)12(15)11-7-3-2-4-8-11/h11H,2-10H2,1H3.
What are the key properties of methyl 1-(cyclohexanecarbonyl)cyclopentane-1-carboxylate?
methyl 1-(cyclohexanecarbonyl)cyclopentane-1-carboxylate has a molecular weight of 238.33 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(cyclohexanecarbonyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 86032641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).