3-[(1,5-dimethyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl]-1,5-dimethyl-7-oxabicyclo[4.1.0]heptane

C17H28O2 — CID 59720736

IUPAC3-[(1,5-dimethyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl]-1,5-dimethyl-7-oxabicyclo[4.1.0]heptane
SMILESCC1CC(CC2CC(C)C3OC3(C)C2)CC2(C)OC12
InChIInChI=1S/C17H28O2/c1-10-5-12(8-16(3)14(10)18-16)7-13-6-11(2)15-17(4,9-13)19-15/h10-15H,5-9H2,1-4H3
InChIKeyMPAYKBRPGGACNP-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.78
Rot. Bonds2

About 3-[(1,5-dimethyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl]-1,5-dimethyl-7-oxabicyclo[4.1.0]heptane

3-[(1,5-dimethyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl]-1,5-dimethyl-7-oxabicyclo[4.1.0]heptane (PubChem CID 59720736) has the molecular formula C17H28O2 and a molecular weight of 264.41 g/mol. Its IUPAC name is 3-[(1,5-dimethyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl]-1,5-dimethyl-7-oxabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name3-[(1,5-dimethyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl]-1,5-dimethyl-7-oxabicyclo[4.1.0]heptane
PubChem CID59720736
Molecular FormulaC17H28O2
Molecular Weight264.41 g/mol
Exact Mass264.21
IUPAC Name3-[(1,5-dimethyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl]-1,5-dimethyl-7-oxabicyclo[4.1.0]heptane
SMILESCC1CC(CC2CC(C)C3OC3(C)C2)CC2(C)OC12
InChIInChI=1S/C17H28O2/c1-10-5-12(8-16(3)14(10)18-16)7-13-6-11(2)15-17(4,9-13)19-15/h10-15H,5-9H2,1-4H3
InChIKeyMPAYKBRPGGACNP-UHFFFAOYSA-N
XLogP3.78
TPSA25.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[(1,5-dimethyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl]-1,5-dimethyl-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 3-[(1,5-dimethyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl]-1,5-dimethyl-7-oxabicyclo[4.1.0]heptane?
The IUPAC name of 3-[(1,5-dimethyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl]-1,5-dimethyl-7-oxabicyclo[4.1.0]heptane (CID 59720736) is 3-[(1,5-dimethyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl]-1,5-dimethyl-7-oxabicyclo[4.1.0]heptane.
What is the SMILES notation for 3-[(1,5-dimethyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl]-1,5-dimethyl-7-oxabicyclo[4.1.0]heptane?
The canonical SMILES for 3-[(1,5-dimethyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl]-1,5-dimethyl-7-oxabicyclo[4.1.0]heptane is CC1CC(CC2CC(C)C3OC3(C)C2)CC2(C)OC12.
What is the InChIKey of 3-[(1,5-dimethyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl]-1,5-dimethyl-7-oxabicyclo[4.1.0]heptane?
The InChIKey is MPAYKBRPGGACNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O2/c1-10-5-12(8-16(3)14(10)18-16)7-13-6-11(2)15-17(4,9-13)19-15/h10-15H,5-9H2,1-4H3.
What are the key properties of 3-[(1,5-dimethyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl]-1,5-dimethyl-7-oxabicyclo[4.1.0]heptane?
3-[(1,5-dimethyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl]-1,5-dimethyl-7-oxabicyclo[4.1.0]heptane has a molecular weight of 264.41 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,5-dimethyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl]-1,5-dimethyl-7-oxabicyclo[4.1.0]heptane is sourced from PubChem (CID 59720736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).