methyl 2-cyclopentyl-3-oxocyclopentane-1-carboxylate

C12H18O3 — CID 21443736

IUPACmethyl 2-cyclopentyl-3-oxocyclopentane-1-carboxylate
SMILESCOC(=O)C1CCC(=O)C1C1CCCC1
InChIInChI=1S/C12H18O3/c1-15-12(14)9-6-7-10(13)11(9)8-4-2-3-5-8/h8-9,11H,2-7H2,1H3
InChIKeyPDINUCCILDDIEC-UHFFFAOYSA-N
MW210.27 g/mol
LogP1.94
Rot. Bonds2

About methyl 2-cyclopentyl-3-oxocyclopentane-1-carboxylate

methyl 2-cyclopentyl-3-oxocyclopentane-1-carboxylate (PubChem CID 21443736) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is methyl 2-cyclopentyl-3-oxocyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-cyclopentyl-3-oxocyclopentane-1-carboxylate
PubChem CID21443736
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Namemethyl 2-cyclopentyl-3-oxocyclopentane-1-carboxylate
SMILESCOC(=O)C1CCC(=O)C1C1CCCC1
InChIInChI=1S/C12H18O3/c1-15-12(14)9-6-7-10(13)11(9)8-4-2-3-5-8/h8-9,11H,2-7H2,1H3
InChIKeyPDINUCCILDDIEC-UHFFFAOYSA-N
XLogP1.94
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (1R,5R,6S)-2-oxobicyclo[3.1.0]hexane-6-carboxylate
CID 130877712
cis-methyl (1R,2S)-2-methyl-4-oxocyclohexane-1-carboxylate
CID 12561750
cis-methyl (1R,2S)-2-cyclohexyl-4-methylidenecyclohexane-1-carboxylate
CID 178021701
methyl 3-oxo-2,4,4a,5,6,7,8,8a-octahydro-1H-naphthalene-1-carboxylate
CID 121006982
cis-methyl (1R,2S)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentane-1-carboxylate
CID 175518754
dimethyl (1R,2R,4R,8R,9S,10S,11R,12S,13R,17R)-7,14-dioxopentacyclo[10.6.0.02,9.04,8.013,17]octadecane-10,11-dicarboxylate
CID 124793417
methyl 2-(2-methoxycarbonylcyclohexyl)cyclohexane-1-carboxylate
CID 86175836
methyl (2S,3aS,7aS)-1-acetyl-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylate
CID 132942864
methyl (4aR,5R,6R,10aR)-5-methyl-10-oxo-2,3,4,4a,5,6,7,8,9,10a-decahydro-1H-benzo[8]annulene-6-carboxylate
CID 22298152
(3aS,6aR)-6-prop-1-en-2-yl-3,3a,4,5,6,6a-hexahydro-2H-pentalen-1-one
CID 130906170
cis-methyl (1S,2R)-2-methyl-5-oxocyclopentane-1-carboxylate
CID 11040926
dimethyl cyclopropane-1,2-dicarboxylate
CID 2724542

Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclopentyl-3-oxocyclopentane-1-carboxylate?
The IUPAC name of methyl 2-cyclopentyl-3-oxocyclopentane-1-carboxylate (CID 21443736) is methyl 2-cyclopentyl-3-oxocyclopentane-1-carboxylate.
What is the SMILES notation for methyl 2-cyclopentyl-3-oxocyclopentane-1-carboxylate?
The canonical SMILES for methyl 2-cyclopentyl-3-oxocyclopentane-1-carboxylate is COC(=O)C1CCC(=O)C1C1CCCC1.
What is the InChIKey of methyl 2-cyclopentyl-3-oxocyclopentane-1-carboxylate?
The InChIKey is PDINUCCILDDIEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3/c1-15-12(14)9-6-7-10(13)11(9)8-4-2-3-5-8/h8-9,11H,2-7H2,1H3.
What are the key properties of methyl 2-cyclopentyl-3-oxocyclopentane-1-carboxylate?
methyl 2-cyclopentyl-3-oxocyclopentane-1-carboxylate has a molecular weight of 210.27 g/mol, XLogP of 1.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyclopentyl-3-oxocyclopentane-1-carboxylate is sourced from PubChem (CID 21443736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).