[2-(3-cyclopentylpropyl)oxiran-2-yl] ethyl carbonate

C13H22O4 — CID 88709119

IUPAC[2-(3-cyclopentylpropyl)oxiran-2-yl] ethyl carbonate
SMILESCCOC(=O)OC1(CCCC2CCCC2)CO1
InChIInChI=1S/C13H22O4/c1-2-15-12(14)17-13(10-16-13)9-5-8-11-6-3-4-7-11/h11H,2-10H2,1H3
InChIKeyDOUQFVMDKZKJSN-UHFFFAOYSA-N
MW242.31 g/mol
LogP3.25
Rot. Bonds6

About [2-(3-cyclopentylpropyl)oxiran-2-yl] ethyl carbonate

[2-(3-cyclopentylpropyl)oxiran-2-yl] ethyl carbonate (PubChem CID 88709119) has the molecular formula C13H22O4 and a molecular weight of 242.31 g/mol. Its IUPAC name is [2-(3-cyclopentylpropyl)oxiran-2-yl] ethyl carbonate.

Molecular Properties

Compound Name[2-(3-cyclopentylpropyl)oxiran-2-yl] ethyl carbonate
PubChem CID88709119
Molecular FormulaC13H22O4
Molecular Weight242.31 g/mol
Exact Mass242.15
IUPAC Name[2-(3-cyclopentylpropyl)oxiran-2-yl] ethyl carbonate
SMILESCCOC(=O)OC1(CCCC2CCCC2)CO1
InChIInChI=1S/C13H22O4/c1-2-15-12(14)17-13(10-16-13)9-5-8-11-6-3-4-7-11/h11H,2-10H2,1H3
InChIKeyDOUQFVMDKZKJSN-UHFFFAOYSA-N
XLogP3.25
TPSA48.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-(7-cyclohexylheptyl)oxiran-2-yl] ethyl carbonate
CID 88708633
[2-(5-cyclododecylpentyl)oxiran-2-yl] ethyl carbonate
CID 88708899
[2-(4-cyclohexyloxybutyl)oxiran-2-yl] ethyl carbonate
CID 88708998
[2-[2-(4-cycloheptylbutoxy)ethyl]oxiran-2-yl] methyl carbonate
CID 88752904
ethyl [2-(6-phenylhexyl)oxiran-2-yl] carbonate
CID 88740780
ethyl 2-[4-(2-cyclopentylethoxy)butyl]oxirane-2-carboxylate
CID 54126467
ethyl acetate;hexylcyclohexane
CID 23285784
ethyl 2-(6-cyclopropylhexyl)oxirane-2-carboxylate
CID 54536082
ethyl 2-acetyl-5-cyclohexylpentanoate
CID 18370639
sodium 2-(3-cyclohexylpropyl)oxirane-2-carboxylate
CID 86739208
[2-[5-(4-chloro-2-methylphenyl)heptyl]oxiran-2-yl] ethyl carbonate
CID 88684257
ethyl 6-cyclohexyl-3-oxohexanoate
CID 101146928

Frequently Asked Questions

What is the IUPAC name of [2-(3-cyclopentylpropyl)oxiran-2-yl] ethyl carbonate?
The IUPAC name of [2-(3-cyclopentylpropyl)oxiran-2-yl] ethyl carbonate (CID 88709119) is [2-(3-cyclopentylpropyl)oxiran-2-yl] ethyl carbonate.
What is the SMILES notation for [2-(3-cyclopentylpropyl)oxiran-2-yl] ethyl carbonate?
The canonical SMILES for [2-(3-cyclopentylpropyl)oxiran-2-yl] ethyl carbonate is CCOC(=O)OC1(CCCC2CCCC2)CO1.
What is the InChIKey of [2-(3-cyclopentylpropyl)oxiran-2-yl] ethyl carbonate?
The InChIKey is DOUQFVMDKZKJSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O4/c1-2-15-12(14)17-13(10-16-13)9-5-8-11-6-3-4-7-11/h11H,2-10H2,1H3.
What are the key properties of [2-(3-cyclopentylpropyl)oxiran-2-yl] ethyl carbonate?
[2-(3-cyclopentylpropyl)oxiran-2-yl] ethyl carbonate has a molecular weight of 242.31 g/mol, XLogP of 3.25, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-cyclopentylpropyl)oxiran-2-yl] ethyl carbonate is sourced from PubChem (CID 88709119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).