ethyl 3-(2-methoxycarbonylcyclopentyl)-3-methyloxirane-2-carboxylate

C13H20O5 — CID 162788323

IUPACethyl 3-(2-methoxycarbonylcyclopentyl)-3-methyloxirane-2-carboxylate
SMILESCCOC(=O)C1OC1(C)C1CCCC1C(=O)OC
InChIInChI=1S/C13H20O5/c1-4-17-12(15)10-13(2,18-10)9-7-5-6-8(9)11(14)16-3/h8-10H,4-7H2,1-3H3
InChIKeyNYFSLFFIXQKETN-UHFFFAOYSA-N
MW256.30 g/mol
LogP1.30
Rot. Bonds4

About ethyl 3-(2-methoxycarbonylcyclopentyl)-3-methyloxirane-2-carboxylate

ethyl 3-(2-methoxycarbonylcyclopentyl)-3-methyloxirane-2-carboxylate (PubChem CID 162788323) has the molecular formula C13H20O5 and a molecular weight of 256.30 g/mol. Its IUPAC name is ethyl 3-(2-methoxycarbonylcyclopentyl)-3-methyloxirane-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-(2-methoxycarbonylcyclopentyl)-3-methyloxirane-2-carboxylate
PubChem CID162788323
Molecular FormulaC13H20O5
Molecular Weight256.30 g/mol
Exact Mass256.13
IUPAC Nameethyl 3-(2-methoxycarbonylcyclopentyl)-3-methyloxirane-2-carboxylate
SMILESCCOC(=O)C1OC1(C)C1CCCC1C(=O)OC
InChIInChI=1S/C13H20O5/c1-4-17-12(15)10-13(2,18-10)9-7-5-6-8(9)11(14)16-3/h8-10H,4-7H2,1-3H3
InChIKeyNYFSLFFIXQKETN-UHFFFAOYSA-N
XLogP1.30
TPSA65.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-methoxycarbonylcyclopentyl)-3-methyloxirane-2-carboxylate?
The IUPAC name of ethyl 3-(2-methoxycarbonylcyclopentyl)-3-methyloxirane-2-carboxylate (CID 162788323) is ethyl 3-(2-methoxycarbonylcyclopentyl)-3-methyloxirane-2-carboxylate.
What is the SMILES notation for ethyl 3-(2-methoxycarbonylcyclopentyl)-3-methyloxirane-2-carboxylate?
The canonical SMILES for ethyl 3-(2-methoxycarbonylcyclopentyl)-3-methyloxirane-2-carboxylate is CCOC(=O)C1OC1(C)C1CCCC1C(=O)OC.
What is the InChIKey of ethyl 3-(2-methoxycarbonylcyclopentyl)-3-methyloxirane-2-carboxylate?
The InChIKey is NYFSLFFIXQKETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O5/c1-4-17-12(15)10-13(2,18-10)9-7-5-6-8(9)11(14)16-3/h8-10H,4-7H2,1-3H3.
What are the key properties of ethyl 3-(2-methoxycarbonylcyclopentyl)-3-methyloxirane-2-carboxylate?
ethyl 3-(2-methoxycarbonylcyclopentyl)-3-methyloxirane-2-carboxylate has a molecular weight of 256.30 g/mol, XLogP of 1.30, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-methoxycarbonylcyclopentyl)-3-methyloxirane-2-carboxylate is sourced from PubChem (CID 162788323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).