methyl 1-(2-methyl-1-oxopropan-2-yl)cyclopentane-1-carboxylate

C11H18O3 — CID 13268652

IUPACmethyl 1-(2-methyl-1-oxopropan-2-yl)cyclopentane-1-carboxylate
SMILESCOC(=O)C1(C(C)(C)C=O)CCCC1
InChIInChI=1S/C11H18O3/c1-10(2,8-12)11(9(13)14-3)6-4-5-7-11/h8H,4-7H2,1-3H3
InChIKeyADBCBVSYKICOEF-UHFFFAOYSA-N
MW198.26 g/mol
LogP1.94
Rot. Bonds3

About methyl 1-(2-methyl-1-oxopropan-2-yl)cyclopentane-1-carboxylate

methyl 1-(2-methyl-1-oxopropan-2-yl)cyclopentane-1-carboxylate (PubChem CID 13268652) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is methyl 1-(2-methyl-1-oxopropan-2-yl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-methyl-1-oxopropan-2-yl)cyclopentane-1-carboxylate
PubChem CID13268652
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Namemethyl 1-(2-methyl-1-oxopropan-2-yl)cyclopentane-1-carboxylate
SMILESCOC(=O)C1(C(C)(C)C=O)CCCC1
InChIInChI=1S/C11H18O3/c1-10(2,8-12)11(9(13)14-3)6-4-5-7-11/h8H,4-7H2,1-3H3
InChIKeyADBCBVSYKICOEF-UHFFFAOYSA-N
XLogP1.94
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

methyl 1-(2,2-dimethylpropanoylamino)cyclobutane-1-carboxylate
CID 165166779
1-(1-methoxy-2-methyl-1-oxopropan-2-yl)cyclohexane-1-carboxylic acid
CID 121455279
dimethyl 1,4-diformylcyclohexane-1,4-dicarboxylate
CID 15656318
methyl 1-(1-hydroxycyclopentyl)cyclohexane-1-carboxylate
CID 10059596
methyl 1-prop-2-enoxycyclohexane-1-carboxylate
CID 130466447
methyl 1-(1-aminocyclopropyl)cyclopentane-1-carboxylate
CID 115016491
1-(1-tert-butylcyclobutyl)ethanone
CID 58530463
methyl 1-[(2-methylpropan-2-yl)oxycarbonylamino]cycloheptane-1-carboxylate
CID 59614777
1-O-tert-butyl 2-O,6-O-dimethyl (2S,6R)-2,6-dimethylpiperidine-1,2,6-tricarboxylate
CID 15212625
(1-methoxycarbonylcyclopentyl)phosphonic acid
CID 70142397
methyl 10-aminospiro[4.5]decane-10-carboxylate
CID 83909665
methyl 1-(difluoromethyl)cyclopentane-1-carboxylate
CID 130648445

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-methyl-1-oxopropan-2-yl)cyclopentane-1-carboxylate?
The IUPAC name of methyl 1-(2-methyl-1-oxopropan-2-yl)cyclopentane-1-carboxylate (CID 13268652) is methyl 1-(2-methyl-1-oxopropan-2-yl)cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 1-(2-methyl-1-oxopropan-2-yl)cyclopentane-1-carboxylate?
The canonical SMILES for methyl 1-(2-methyl-1-oxopropan-2-yl)cyclopentane-1-carboxylate is COC(=O)C1(C(C)(C)C=O)CCCC1.
What is the InChIKey of methyl 1-(2-methyl-1-oxopropan-2-yl)cyclopentane-1-carboxylate?
The InChIKey is ADBCBVSYKICOEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c1-10(2,8-12)11(9(13)14-3)6-4-5-7-11/h8H,4-7H2,1-3H3.
What are the key properties of methyl 1-(2-methyl-1-oxopropan-2-yl)cyclopentane-1-carboxylate?
methyl 1-(2-methyl-1-oxopropan-2-yl)cyclopentane-1-carboxylate has a molecular weight of 198.26 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-methyl-1-oxopropan-2-yl)cyclopentane-1-carboxylate is sourced from PubChem (CID 13268652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).