butyl 2-(3-cyclopentyloxypropyl)oxirane-2-carboxylate

C15H26O4 — CID 54421936

IUPACbutyl 2-(3-cyclopentyloxypropyl)oxirane-2-carboxylate
SMILESCCCCOC(=O)C1(CCCOC2CCCC2)CO1
InChIInChI=1S/C15H26O4/c1-2-3-10-18-14(16)15(12-19-15)9-6-11-17-13-7-4-5-8-13/h13H,2-12H2,1H3
InChIKeyWBKOZMYQNBAGSU-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.84
Rot. Bonds9

About butyl 2-(3-cyclopentyloxypropyl)oxirane-2-carboxylate

butyl 2-(3-cyclopentyloxypropyl)oxirane-2-carboxylate (PubChem CID 54421936) has the molecular formula C15H26O4 and a molecular weight of 270.37 g/mol. Its IUPAC name is butyl 2-(3-cyclopentyloxypropyl)oxirane-2-carboxylate.

Molecular Properties

Compound Namebutyl 2-(3-cyclopentyloxypropyl)oxirane-2-carboxylate
PubChem CID54421936
Molecular FormulaC15H26O4
Molecular Weight270.37 g/mol
Exact Mass270.18
IUPAC Namebutyl 2-(3-cyclopentyloxypropyl)oxirane-2-carboxylate
SMILESCCCCOC(=O)C1(CCCOC2CCCC2)CO1
InChIInChI=1S/C15H26O4/c1-2-3-10-18-14(16)15(12-19-15)9-6-11-17-13-7-4-5-8-13/h13H,2-12H2,1H3
InChIKeyWBKOZMYQNBAGSU-UHFFFAOYSA-N
XLogP2.84
TPSA48.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.84
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

butoxycyclopentane;ethane-1,2-diol
CID 174670164
butoxycyclobutane
CID 54057236
ethyl 2-[4-(2-cyclopentylethoxy)butyl]oxirane-2-carboxylate
CID 54126467
pentadecoxycyclopentane
CID 155570194
octoxycyclopentane
CID 14691467
10-butoxycyclooctadecan-1-ol
CID 91298202
methyl 2-butyloxirane-2-carboxylate
CID 18471262
nonyl 4-(2-cyclohexyloxyethoxy)cyclohexane-1-carboxylate
CID 140892346
butyl 2-[2-(4-chlorophenoxy)ethyl]oxirane-2-carboxylate
CID 54257630
[2-(4-cyclohexyloxybutyl)oxiran-2-yl] ethyl carbonate
CID 88708998
cyclopentane;ethyl 2-propyloxirane-2-carboxylate
CID 88748989
4-butoxycyclohexane-1-carboxamide
CID 89399815

Frequently Asked Questions

What is the IUPAC name of butyl 2-(3-cyclopentyloxypropyl)oxirane-2-carboxylate?
The IUPAC name of butyl 2-(3-cyclopentyloxypropyl)oxirane-2-carboxylate (CID 54421936) is butyl 2-(3-cyclopentyloxypropyl)oxirane-2-carboxylate.
What is the SMILES notation for butyl 2-(3-cyclopentyloxypropyl)oxirane-2-carboxylate?
The canonical SMILES for butyl 2-(3-cyclopentyloxypropyl)oxirane-2-carboxylate is CCCCOC(=O)C1(CCCOC2CCCC2)CO1.
What is the InChIKey of butyl 2-(3-cyclopentyloxypropyl)oxirane-2-carboxylate?
The InChIKey is WBKOZMYQNBAGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O4/c1-2-3-10-18-14(16)15(12-19-15)9-6-11-17-13-7-4-5-8-13/h13H,2-12H2,1H3.
What are the key properties of butyl 2-(3-cyclopentyloxypropyl)oxirane-2-carboxylate?
butyl 2-(3-cyclopentyloxypropyl)oxirane-2-carboxylate has a molecular weight of 270.37 g/mol, XLogP of 2.84, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-(3-cyclopentyloxypropyl)oxirane-2-carboxylate is sourced from PubChem (CID 54421936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).