[2-(4-cyclohexyloxybutyl)oxiran-2-yl] ethyl carbonate

C15H26O5 — CID 88708998

IUPAC[2-(4-cyclohexyloxybutyl)oxiran-2-yl] ethyl carbonate
SMILESCCOC(=O)OC1(CCCCOC2CCCCC2)CO1
InChIInChI=1S/C15H26O5/c1-2-17-14(16)20-15(12-19-15)10-6-7-11-18-13-8-4-3-5-9-13/h13H,2-12H2,1H3
InChIKeyMGAKNDQKEPJVDF-UHFFFAOYSA-N
MW286.37 g/mol
LogP3.41
Rot. Bonds8

About [2-(4-cyclohexyloxybutyl)oxiran-2-yl] ethyl carbonate

[2-(4-cyclohexyloxybutyl)oxiran-2-yl] ethyl carbonate (PubChem CID 88708998) has the molecular formula C15H26O5 and a molecular weight of 286.37 g/mol. Its IUPAC name is [2-(4-cyclohexyloxybutyl)oxiran-2-yl] ethyl carbonate.

Molecular Properties

Compound Name[2-(4-cyclohexyloxybutyl)oxiran-2-yl] ethyl carbonate
PubChem CID88708998
Molecular FormulaC15H26O5
Molecular Weight286.37 g/mol
Exact Mass286.18
IUPAC Name[2-(4-cyclohexyloxybutyl)oxiran-2-yl] ethyl carbonate
SMILESCCOC(=O)OC1(CCCCOC2CCCCC2)CO1
InChIInChI=1S/C15H26O5/c1-2-17-14(16)20-15(12-19-15)10-6-7-11-18-13-8-4-3-5-9-13/h13H,2-12H2,1H3
InChIKeyMGAKNDQKEPJVDF-UHFFFAOYSA-N
XLogP3.41
TPSA57.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

[2-(7-cyclohexylheptyl)oxiran-2-yl] ethyl carbonate
CID 88708633
[2-(5-cyclododecylpentyl)oxiran-2-yl] ethyl carbonate
CID 88708899
[2-(3-cyclopentylpropyl)oxiran-2-yl] ethyl carbonate
CID 88709119
ethyl [2-(6-phenylhexyl)oxiran-2-yl] carbonate
CID 88740780
6-cycloheptyloxyhexan-2-one
CID 61069930
butyl 2-(3-cyclopentyloxypropyl)oxirane-2-carboxylate
CID 54421936
[2-[2-(4-cycloheptylbutoxy)ethyl]oxiran-2-yl] methyl carbonate
CID 88752904
8-cycloheptyloxyoctoxycycloheptane
CID 173292672
nonyl 4-(2-cyclohexyloxyethoxy)cyclohexane-1-carboxylate
CID 140892346
bis(2-cyclohexyloxyethyl) carbonate
CID 139670101
3-cyclohexyloxypropyl 2-methylprop-2-enoate
CID 139688731
pentadecoxycyclopentane
CID 155570194

Frequently Asked Questions

What is the IUPAC name of [2-(4-cyclohexyloxybutyl)oxiran-2-yl] ethyl carbonate?
The IUPAC name of [2-(4-cyclohexyloxybutyl)oxiran-2-yl] ethyl carbonate (CID 88708998) is [2-(4-cyclohexyloxybutyl)oxiran-2-yl] ethyl carbonate.
What is the SMILES notation for [2-(4-cyclohexyloxybutyl)oxiran-2-yl] ethyl carbonate?
The canonical SMILES for [2-(4-cyclohexyloxybutyl)oxiran-2-yl] ethyl carbonate is CCOC(=O)OC1(CCCCOC2CCCCC2)CO1.
What is the InChIKey of [2-(4-cyclohexyloxybutyl)oxiran-2-yl] ethyl carbonate?
The InChIKey is MGAKNDQKEPJVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O5/c1-2-17-14(16)20-15(12-19-15)10-6-7-11-18-13-8-4-3-5-9-13/h13H,2-12H2,1H3.
What are the key properties of [2-(4-cyclohexyloxybutyl)oxiran-2-yl] ethyl carbonate?
[2-(4-cyclohexyloxybutyl)oxiran-2-yl] ethyl carbonate has a molecular weight of 286.37 g/mol, XLogP of 3.41, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-cyclohexyloxybutyl)oxiran-2-yl] ethyl carbonate is sourced from PubChem (CID 88708998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).