(3R)-4-[2-methyl-3-(3-methylbutyl)oxiran-2-yl]-1-oxaspiro[2.5]octane

C15H26O2 — CID 89154743

IUPAC(3R)-4-[2-methyl-3-(3-methylbutyl)oxiran-2-yl]-1-oxaspiro[2.5]octane
SMILESCC(C)CCC1OC1(C)C1CCCC[C@]12CO2
InChIInChI=1S/C15H26O2/c1-11(2)7-8-13-14(3,17-13)12-6-4-5-9-15(12)10-16-15/h11-13H,4-10H2,1-3H3/t12?,13?,14?,15-/m0/s1
InChIKeyMAJNPQQZMASCSW-BOADVZGGSA-N
MW238.37 g/mol
LogP3.54
Rot. Bonds4

About (3R)-4-[2-methyl-3-(3-methylbutyl)oxiran-2-yl]-1-oxaspiro[2.5]octane

(3R)-4-[2-methyl-3-(3-methylbutyl)oxiran-2-yl]-1-oxaspiro[2.5]octane (PubChem CID 89154743) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is (3R)-4-[2-methyl-3-(3-methylbutyl)oxiran-2-yl]-1-oxaspiro[2.5]octane.

Molecular Properties

Compound Name(3R)-4-[2-methyl-3-(3-methylbutyl)oxiran-2-yl]-1-oxaspiro[2.5]octane
PubChem CID89154743
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name(3R)-4-[2-methyl-3-(3-methylbutyl)oxiran-2-yl]-1-oxaspiro[2.5]octane
SMILESCC(C)CCC1OC1(C)C1CCCC[C@]12CO2
InChIInChI=1S/C15H26O2/c1-11(2)7-8-13-14(3,17-13)12-6-4-5-9-15(12)10-16-15/h11-13H,4-10H2,1-3H3/t12?,13?,14?,15-/m0/s1
InChIKeyMAJNPQQZMASCSW-BOADVZGGSA-N
XLogP3.54
TPSA25.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3R)-4-[2-methyl-3-(3-methylbutyl)oxiran-2-yl]-1-oxaspiro[2.5]octane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R)-4-[2-methyl-3-(3-methylbutyl)oxiran-2-yl]-1-oxaspiro[2.5]octane?
The IUPAC name of (3R)-4-[2-methyl-3-(3-methylbutyl)oxiran-2-yl]-1-oxaspiro[2.5]octane (CID 89154743) is (3R)-4-[2-methyl-3-(3-methylbutyl)oxiran-2-yl]-1-oxaspiro[2.5]octane.
What is the SMILES notation for (3R)-4-[2-methyl-3-(3-methylbutyl)oxiran-2-yl]-1-oxaspiro[2.5]octane?
The canonical SMILES for (3R)-4-[2-methyl-3-(3-methylbutyl)oxiran-2-yl]-1-oxaspiro[2.5]octane is CC(C)CCC1OC1(C)C1CCCC[C@]12CO2.
What is the InChIKey of (3R)-4-[2-methyl-3-(3-methylbutyl)oxiran-2-yl]-1-oxaspiro[2.5]octane?
The InChIKey is MAJNPQQZMASCSW-BOADVZGGSA-N. The full InChI is InChI=1S/C15H26O2/c1-11(2)7-8-13-14(3,17-13)12-6-4-5-9-15(12)10-16-15/h11-13H,4-10H2,1-3H3/t12?,13?,14?,15-/m0/s1.
What are the key properties of (3R)-4-[2-methyl-3-(3-methylbutyl)oxiran-2-yl]-1-oxaspiro[2.5]octane?
(3R)-4-[2-methyl-3-(3-methylbutyl)oxiran-2-yl]-1-oxaspiro[2.5]octane has a molecular weight of 238.37 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[2-methyl-3-(3-methylbutyl)oxiran-2-yl]-1-oxaspiro[2.5]octane is sourced from PubChem (CID 89154743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).