ethyl 2-[4-(2-cyclopentylethoxy)butyl]oxirane-2-carboxylate

C16H28O4 — CID 54126467

IUPACethyl 2-[4-(2-cyclopentylethoxy)butyl]oxirane-2-carboxylate
SMILESCCOC(=O)C1(CCCCOCCC2CCCC2)CO1
InChIInChI=1S/C16H28O4/c1-2-19-15(17)16(13-20-16)10-5-6-11-18-12-9-14-7-3-4-8-14/h14H,2-13H2,1H3
InChIKeyNRHKFUKAFZNVRX-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.09
Rot. Bonds10

About ethyl 2-[4-(2-cyclopentylethoxy)butyl]oxirane-2-carboxylate

ethyl 2-[4-(2-cyclopentylethoxy)butyl]oxirane-2-carboxylate (PubChem CID 54126467) has the molecular formula C16H28O4 and a molecular weight of 284.40 g/mol. Its IUPAC name is ethyl 2-[4-(2-cyclopentylethoxy)butyl]oxirane-2-carboxylate.

Molecular Properties

Compound Nameethyl 2-[4-(2-cyclopentylethoxy)butyl]oxirane-2-carboxylate
PubChem CID54126467
Molecular FormulaC16H28O4
Molecular Weight284.40 g/mol
Exact Mass284.20
IUPAC Nameethyl 2-[4-(2-cyclopentylethoxy)butyl]oxirane-2-carboxylate
SMILESCCOC(=O)C1(CCCCOCCC2CCCC2)CO1
InChIInChI=1S/C16H28O4/c1-2-19-15(17)16(13-20-16)10-5-6-11-18-12-9-14-7-3-4-8-14/h14H,2-13H2,1H3
InChIKeyNRHKFUKAFZNVRX-UHFFFAOYSA-N
XLogP3.09
TPSA48.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-(6-cyclopropylhexyl)oxirane-2-carboxylate
CID 54536082
cyclopentane;ethyl 2-propyloxirane-2-carboxylate
CID 88748989
butyl 2-(3-cyclopentyloxypropyl)oxirane-2-carboxylate
CID 54421936
[2-(3-cyclopentylpropyl)oxiran-2-yl] ethyl carbonate
CID 88709119
[2-(7-cyclohexylheptyl)oxiran-2-yl] ethyl carbonate
CID 88708633
[2-(5-cyclododecylpentyl)oxiran-2-yl] ethyl carbonate
CID 88708899
ethyl 2-[(tert-butylamino)methyl]oxirane-2-carboxylate
CID 10631903
[2-[2-(4-cycloheptylbutoxy)ethyl]oxiran-2-yl] methyl carbonate
CID 88752904
ethyl 6-(2-cyclobutylethoxy)-2-methyl-2-(methylamino)hexanoate
CID 106204484
propyl 2-[3-(4-phenylbutoxy)propyl]oxirane-2-carboxylate
CID 54252816
sodium 2-(3-cyclohexylpropyl)oxirane-2-carboxylate
CID 86739208
ethyl 2-(4,5-dibromotetradecyl)oxirane-2-carboxylate
CID 22753985

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(2-cyclopentylethoxy)butyl]oxirane-2-carboxylate?
The IUPAC name of ethyl 2-[4-(2-cyclopentylethoxy)butyl]oxirane-2-carboxylate (CID 54126467) is ethyl 2-[4-(2-cyclopentylethoxy)butyl]oxirane-2-carboxylate.
What is the SMILES notation for ethyl 2-[4-(2-cyclopentylethoxy)butyl]oxirane-2-carboxylate?
The canonical SMILES for ethyl 2-[4-(2-cyclopentylethoxy)butyl]oxirane-2-carboxylate is CCOC(=O)C1(CCCCOCCC2CCCC2)CO1.
What is the InChIKey of ethyl 2-[4-(2-cyclopentylethoxy)butyl]oxirane-2-carboxylate?
The InChIKey is NRHKFUKAFZNVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O4/c1-2-19-15(17)16(13-20-16)10-5-6-11-18-12-9-14-7-3-4-8-14/h14H,2-13H2,1H3.
What are the key properties of ethyl 2-[4-(2-cyclopentylethoxy)butyl]oxirane-2-carboxylate?
ethyl 2-[4-(2-cyclopentylethoxy)butyl]oxirane-2-carboxylate has a molecular weight of 284.40 g/mol, XLogP of 3.09, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(2-cyclopentylethoxy)butyl]oxirane-2-carboxylate is sourced from PubChem (CID 54126467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).