3-methyl-4-[(4-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]-7-oxabicyclo[4.1.0]heptane

C15H24O3 — CID 59936732

IUPAC3-methyl-4-[(4-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]-7-oxabicyclo[4.1.0]heptane
SMILESCC1CC2OC2CC1COC1CC2OC2CC1C
InChIInChI=1S/C15H24O3/c1-8-3-12-14(17-12)5-10(8)7-16-11-6-15-13(18-15)4-9(11)2/h8-15H,3-7H2,1-2H3
InChIKeyIVCGFQMOXNLJQF-UHFFFAOYSA-N
MW252.35 g/mol
LogP2.38
Rot. Bonds3

About 3-methyl-4-[(4-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]-7-oxabicyclo[4.1.0]heptane

3-methyl-4-[(4-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]-7-oxabicyclo[4.1.0]heptane (PubChem CID 59936732) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is 3-methyl-4-[(4-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]-7-oxabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name3-methyl-4-[(4-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]-7-oxabicyclo[4.1.0]heptane
PubChem CID59936732
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name3-methyl-4-[(4-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]-7-oxabicyclo[4.1.0]heptane
SMILESCC1CC2OC2CC1COC1CC2OC2CC1C
InChIInChI=1S/C15H24O3/c1-8-3-12-14(17-12)5-10(8)7-16-11-6-15-13(18-15)4-9(11)2/h8-15H,3-7H2,1-2H3
InChIKeyIVCGFQMOXNLJQF-UHFFFAOYSA-N
XLogP2.38
TPSA34.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[(4-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]-7-oxabicyclo[4.1.0]heptane?
The IUPAC name of 3-methyl-4-[(4-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]-7-oxabicyclo[4.1.0]heptane (CID 59936732) is 3-methyl-4-[(4-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]-7-oxabicyclo[4.1.0]heptane.
What is the SMILES notation for 3-methyl-4-[(4-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]-7-oxabicyclo[4.1.0]heptane?
The canonical SMILES for 3-methyl-4-[(4-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]-7-oxabicyclo[4.1.0]heptane is CC1CC2OC2CC1COC1CC2OC2CC1C.
What is the InChIKey of 3-methyl-4-[(4-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]-7-oxabicyclo[4.1.0]heptane?
The InChIKey is IVCGFQMOXNLJQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3/c1-8-3-12-14(17-12)5-10(8)7-16-11-6-15-13(18-15)4-9(11)2/h8-15H,3-7H2,1-2H3.
What are the key properties of 3-methyl-4-[(4-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]-7-oxabicyclo[4.1.0]heptane?
3-methyl-4-[(4-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]-7-oxabicyclo[4.1.0]heptane has a molecular weight of 252.35 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[(4-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]-7-oxabicyclo[4.1.0]heptane is sourced from PubChem (CID 59936732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).