1-methyl-3-[(1-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)-(2-methyloxiran-2-yl)methyl]-7-oxabicyclo[4.1.0]heptane

C18H28O3 — CID 59720795

IUPAC1-methyl-3-[(1-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)-(2-methyloxiran-2-yl)methyl]-7-oxabicyclo[4.1.0]heptane
SMILESCC12CC(C(C3CCC4OC4(C)C3)C3(C)CO3)CCC1O2
InChIInChI=1S/C18H28O3/c1-16-8-11(4-6-13(16)20-16)15(18(3)10-19-18)12-5-7-14-17(2,9-12)21-14/h11-15H,4-10H2,1-3H3
InChIKeyAAJVHRANKPCTSK-UHFFFAOYSA-N
MW292.42 g/mol
LogP3.31
Rot. Bonds3

About 1-methyl-3-[(1-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)-(2-methyloxiran-2-yl)methyl]-7-oxabicyclo[4.1.0]heptane

1-methyl-3-[(1-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)-(2-methyloxiran-2-yl)methyl]-7-oxabicyclo[4.1.0]heptane (PubChem CID 59720795) has the molecular formula C18H28O3 and a molecular weight of 292.42 g/mol. Its IUPAC name is 1-methyl-3-[(1-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)-(2-methyloxiran-2-yl)methyl]-7-oxabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name1-methyl-3-[(1-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)-(2-methyloxiran-2-yl)methyl]-7-oxabicyclo[4.1.0]heptane
PubChem CID59720795
Molecular FormulaC18H28O3
Molecular Weight292.42 g/mol
Exact Mass292.20
IUPAC Name1-methyl-3-[(1-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)-(2-methyloxiran-2-yl)methyl]-7-oxabicyclo[4.1.0]heptane
SMILESCC12CC(C(C3CCC4OC4(C)C3)C3(C)CO3)CCC1O2
InChIInChI=1S/C18H28O3/c1-16-8-11(4-6-13(16)20-16)15(18(3)10-19-18)12-5-7-14-17(2,9-12)21-14/h11-15H,4-10H2,1-3H3
InChIKeyAAJVHRANKPCTSK-UHFFFAOYSA-N
XLogP3.31
TPSA37.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-methyl-3-[(1-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)-(2-methyloxiran-2-yl)methyl]-7-oxabicyclo[4.1.0]heptane 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 1-methyl-3-[(1-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)-(2-methyloxiran-2-yl)methyl]-7-oxabicyclo[4.1.0]heptane?
The IUPAC name of 1-methyl-3-[(1-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)-(2-methyloxiran-2-yl)methyl]-7-oxabicyclo[4.1.0]heptane (CID 59720795) is 1-methyl-3-[(1-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)-(2-methyloxiran-2-yl)methyl]-7-oxabicyclo[4.1.0]heptane.
What is the SMILES notation for 1-methyl-3-[(1-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)-(2-methyloxiran-2-yl)methyl]-7-oxabicyclo[4.1.0]heptane?
The canonical SMILES for 1-methyl-3-[(1-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)-(2-methyloxiran-2-yl)methyl]-7-oxabicyclo[4.1.0]heptane is CC12CC(C(C3CCC4OC4(C)C3)C3(C)CO3)CCC1O2.
What is the InChIKey of 1-methyl-3-[(1-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)-(2-methyloxiran-2-yl)methyl]-7-oxabicyclo[4.1.0]heptane?
The InChIKey is AAJVHRANKPCTSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O3/c1-16-8-11(4-6-13(16)20-16)15(18(3)10-19-18)12-5-7-14-17(2,9-12)21-14/h11-15H,4-10H2,1-3H3.
What are the key properties of 1-methyl-3-[(1-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)-(2-methyloxiran-2-yl)methyl]-7-oxabicyclo[4.1.0]heptane?
1-methyl-3-[(1-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)-(2-methyloxiran-2-yl)methyl]-7-oxabicyclo[4.1.0]heptane has a molecular weight of 292.42 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(1-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)-(2-methyloxiran-2-yl)methyl]-7-oxabicyclo[4.1.0]heptane is sourced from PubChem (CID 59720795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).