4-[3-(2-cyclopentylideneethyl)oxiran-2-yl]-1-oxaspiro[2.5]octane

C16H24O2 — CID 134270891

IUPAC4-[3-(2-cyclopentylideneethyl)oxiran-2-yl]-1-oxaspiro[2.5]octane
SMILESC(CC1OC1C1CCCCC12CO2)=C1CCCC1
InChIInChI=1S/C16H24O2/c1-2-6-12(5-1)8-9-14-15(18-14)13-7-3-4-10-16(13)11-17-16/h8,13-15H,1-7,9-11H2
InChIKeyDFDWQBNXTYSDJN-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.60
Rot. Bonds3

About 4-[3-(2-cyclopentylideneethyl)oxiran-2-yl]-1-oxaspiro[2.5]octane

4-[3-(2-cyclopentylideneethyl)oxiran-2-yl]-1-oxaspiro[2.5]octane (PubChem CID 134270891) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-[3-(2-cyclopentylideneethyl)oxiran-2-yl]-1-oxaspiro[2.5]octane.

Molecular Properties

Compound Name4-[3-(2-cyclopentylideneethyl)oxiran-2-yl]-1-oxaspiro[2.5]octane
PubChem CID134270891
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name4-[3-(2-cyclopentylideneethyl)oxiran-2-yl]-1-oxaspiro[2.5]octane
SMILESC(CC1OC1C1CCCCC12CO2)=C1CCCC1
InChIInChI=1S/C16H24O2/c1-2-6-12(5-1)8-9-14-15(18-14)13-7-3-4-10-16(13)11-17-16/h8,13-15H,1-7,9-11H2
InChIKeyDFDWQBNXTYSDJN-UHFFFAOYSA-N
XLogP3.60
TPSA25.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-cyclopentylideneethyl)oxiran-2-yl]-1-oxaspiro[2.5]octane?
The IUPAC name of 4-[3-(2-cyclopentylideneethyl)oxiran-2-yl]-1-oxaspiro[2.5]octane (CID 134270891) is 4-[3-(2-cyclopentylideneethyl)oxiran-2-yl]-1-oxaspiro[2.5]octane.
What is the SMILES notation for 4-[3-(2-cyclopentylideneethyl)oxiran-2-yl]-1-oxaspiro[2.5]octane?
The canonical SMILES for 4-[3-(2-cyclopentylideneethyl)oxiran-2-yl]-1-oxaspiro[2.5]octane is C(CC1OC1C1CCCCC12CO2)=C1CCCC1.
What is the InChIKey of 4-[3-(2-cyclopentylideneethyl)oxiran-2-yl]-1-oxaspiro[2.5]octane?
The InChIKey is DFDWQBNXTYSDJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-2-6-12(5-1)8-9-14-15(18-14)13-7-3-4-10-16(13)11-17-16/h8,13-15H,1-7,9-11H2.
What are the key properties of 4-[3-(2-cyclopentylideneethyl)oxiran-2-yl]-1-oxaspiro[2.5]octane?
4-[3-(2-cyclopentylideneethyl)oxiran-2-yl]-1-oxaspiro[2.5]octane has a molecular weight of 248.37 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-cyclopentylideneethyl)oxiran-2-yl]-1-oxaspiro[2.5]octane is sourced from PubChem (CID 134270891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).