methyl 2-cyclopentyloxirane-2-carboxylate

C9H14O3 — CID 91618657

IUPACmethyl 2-cyclopentyloxirane-2-carboxylate
SMILESCOC(=O)C1(C2CCCC2)CO1
InChIInChI=1S/C9H14O3/c1-11-8(10)9(6-12-9)7-4-2-3-5-7/h7H,2-6H2,1H3
InChIKeyPXLCTSYSLDGEET-UHFFFAOYSA-N
MW170.21 g/mol
LogP1.12
Rot. Bonds2

About methyl 2-cyclopentyloxirane-2-carboxylate

methyl 2-cyclopentyloxirane-2-carboxylate (PubChem CID 91618657) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is methyl 2-cyclopentyloxirane-2-carboxylate.

Molecular Properties

Compound Namemethyl 2-cyclopentyloxirane-2-carboxylate
PubChem CID91618657
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Namemethyl 2-cyclopentyloxirane-2-carboxylate
SMILESCOC(=O)C1(C2CCCC2)CO1
InChIInChI=1S/C9H14O3/c1-11-8(10)9(6-12-9)7-4-2-3-5-7/h7H,2-6H2,1H3
InChIKeyPXLCTSYSLDGEET-UHFFFAOYSA-N
XLogP1.12
TPSA38.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

methyl 3-cyclobutyloxetane-3-carboxylate
CID 116873575
methyl 1-cyclopentyl-2,2-dimethylcyclopropane-1-carboxylate
CID 116842886
methyl (2R)-2-[(R)-cyclohexyl(hydroxy)methyl]oxirane-2-carboxylate
CID 102229294
methyl 1-(3-cyclobutyloxetan-3-yl)cyclobutane-1-carboxylate
CID 116875046
methyl (2S)-2-methyloxirane-2-carboxylate
CID 5324667
dimethyl bicyclo[5.1.0]octane-8,8-dicarboxylate
CID 14547848
methyl 3-cyclohexyl-7,8-dioxatricyclo[4.1.1.01,6]octane-3-carboxylate
CID 87200807
methyl (2S,3aS,7aR)-2-acetyl-7a-methyl-3,3a,4,5,6,7-hexahydro-1H-indene-2-carboxylate
CID 11954660
methyl 3-cyclohexyl-7-oxabicyclo[4.1.0]heptane-3-carboxylate
CID 88822916
methyl 3-cyclohexylsulfonyloxetane-3-carboxylate
CID 117037599
palladium(2+);trans-dimethyl (1R,3S)-3-cyclohexyl-1-[(1R,2R)-2-cyclohexyl-1,3-bis(methoxycarbonyl)-2-methylcyclopropyl]-3-methylcyclopropane-1,2-dicarboxylate
CID 16692078
methyl 3-[cyclopentylmethyl(methyl)carbamoyl]oxetane-3-carboxylate
CID 115185155

Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclopentyloxirane-2-carboxylate?
The IUPAC name of methyl 2-cyclopentyloxirane-2-carboxylate (CID 91618657) is methyl 2-cyclopentyloxirane-2-carboxylate.
What is the SMILES notation for methyl 2-cyclopentyloxirane-2-carboxylate?
The canonical SMILES for methyl 2-cyclopentyloxirane-2-carboxylate is COC(=O)C1(C2CCCC2)CO1.
What is the InChIKey of methyl 2-cyclopentyloxirane-2-carboxylate?
The InChIKey is PXLCTSYSLDGEET-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O3/c1-11-8(10)9(6-12-9)7-4-2-3-5-7/h7H,2-6H2,1H3.
What are the key properties of methyl 2-cyclopentyloxirane-2-carboxylate?
methyl 2-cyclopentyloxirane-2-carboxylate has a molecular weight of 170.21 g/mol, XLogP of 1.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyclopentyloxirane-2-carboxylate is sourced from PubChem (CID 91618657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).