cyclopentane;ethyl 2-propyloxirane-2-carboxylate

C13H24O3 — CID 88748989

IUPACcyclopentane;ethyl 2-propyloxirane-2-carboxylate
SMILESC1CCCC1.CCCC1(C(=O)OCC)CO1
InChIInChI=1S/C8H14O3.C5H10/c1-3-5-8(6-11-8)7(9)10-4-2;1-2-4-5-3-1/h3-6H2,1-2H3;1-5H2
InChIKeyYGRMOKRTDORWSM-UHFFFAOYSA-N
MW228.33 g/mol
LogP3.07
Rot. Bonds4

About cyclopentane;ethyl 2-propyloxirane-2-carboxylate

cyclopentane;ethyl 2-propyloxirane-2-carboxylate (PubChem CID 88748989) has the molecular formula C13H24O3 and a molecular weight of 228.33 g/mol. Its IUPAC name is cyclopentane;ethyl 2-propyloxirane-2-carboxylate.

Molecular Properties

Compound Namecyclopentane;ethyl 2-propyloxirane-2-carboxylate
PubChem CID88748989
Molecular FormulaC13H24O3
Molecular Weight228.33 g/mol
Exact Mass228.17
IUPAC Namecyclopentane;ethyl 2-propyloxirane-2-carboxylate
SMILESC1CCCC1.CCCC1(C(=O)OCC)CO1
InChIInChI=1S/C8H14O3.C5H10/c1-3-5-8(6-11-8)7(9)10-4-2;1-2-4-5-3-1/h3-6H2,1-2H3;1-5H2
InChIKeyYGRMOKRTDORWSM-UHFFFAOYSA-N
XLogP3.07
TPSA38.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 53.07
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

ethyl 2-(6-cyclopropylhexyl)oxirane-2-carboxylate
CID 54536082
ethyl 2-(4,5-dibromotetradecyl)oxirane-2-carboxylate
CID 22753985
ethyl 2-(2,2-dichloroethyl)oxirane-2-carboxylate
CID 10987602
ethyl 2-[4-(2-cyclopentylethoxy)butyl]oxirane-2-carboxylate
CID 54126467
ethyl 2-[(tert-butylamino)methyl]oxirane-2-carboxylate
CID 10631903
methyl 2-butyloxirane-2-carboxylate
CID 18471262
ethyl 2-ethoxyoxirane-2-carboxylate
CID 123555291
butyl 2-(3-cyclopentyloxypropyl)oxirane-2-carboxylate
CID 54421936
ethyl 1-butylcyclohexane-1-carboxylate
CID 22016316
ethyl 1-trimethylsilyloxycyclohexane-1-carboxylate
CID 141498306
pentadecakis(cyclohexane);ethyl acetate
CID 173010680
(cyclohexane);ethyl acetate
CID 173021642

Frequently Asked Questions

What is the IUPAC name of cyclopentane;ethyl 2-propyloxirane-2-carboxylate?
The IUPAC name of cyclopentane;ethyl 2-propyloxirane-2-carboxylate (CID 88748989) is cyclopentane;ethyl 2-propyloxirane-2-carboxylate.
What is the SMILES notation for cyclopentane;ethyl 2-propyloxirane-2-carboxylate?
The canonical SMILES for cyclopentane;ethyl 2-propyloxirane-2-carboxylate is C1CCCC1.CCCC1(C(=O)OCC)CO1.
What is the InChIKey of cyclopentane;ethyl 2-propyloxirane-2-carboxylate?
The InChIKey is YGRMOKRTDORWSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3.C5H10/c1-3-5-8(6-11-8)7(9)10-4-2;1-2-4-5-3-1/h3-6H2,1-2H3;1-5H2.
What are the key properties of cyclopentane;ethyl 2-propyloxirane-2-carboxylate?
cyclopentane;ethyl 2-propyloxirane-2-carboxylate has a molecular weight of 228.33 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentane;ethyl 2-propyloxirane-2-carboxylate is sourced from PubChem (CID 88748989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).