3,3-dimethyl-4-(7-oxabicyclo[4.1.0]heptan-3-ylmethyl)-7-oxabicyclo[4.1.0]heptane

C15H24O2 — CID 20508832

IUPAC3,3-dimethyl-4-(7-oxabicyclo[4.1.0]heptan-3-ylmethyl)-7-oxabicyclo[4.1.0]heptane
SMILESCC1(C)CC2OC2CC1CC1CCC2OC2C1
InChIInChI=1S/C15H24O2/c1-15(2)8-14-13(17-14)7-10(15)5-9-3-4-11-12(6-9)16-11/h9-14H,3-8H2,1-2H3
InChIKeyLMJZKQCGLIWJQY-UHFFFAOYSA-N
MW236.35 g/mol
LogP3.15
Rot. Bonds2

About 3,3-dimethyl-4-(7-oxabicyclo[4.1.0]heptan-3-ylmethyl)-7-oxabicyclo[4.1.0]heptane

3,3-dimethyl-4-(7-oxabicyclo[4.1.0]heptan-3-ylmethyl)-7-oxabicyclo[4.1.0]heptane (PubChem CID 20508832) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 3,3-dimethyl-4-(7-oxabicyclo[4.1.0]heptan-3-ylmethyl)-7-oxabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name3,3-dimethyl-4-(7-oxabicyclo[4.1.0]heptan-3-ylmethyl)-7-oxabicyclo[4.1.0]heptane
PubChem CID20508832
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name3,3-dimethyl-4-(7-oxabicyclo[4.1.0]heptan-3-ylmethyl)-7-oxabicyclo[4.1.0]heptane
SMILESCC1(C)CC2OC2CC1CC1CCC2OC2C1
InChIInChI=1S/C15H24O2/c1-15(2)8-14-13(17-14)7-10(15)5-9-3-4-11-12(6-9)16-11/h9-14H,3-8H2,1-2H3
InChIKeyLMJZKQCGLIWJQY-UHFFFAOYSA-N
XLogP3.15
TPSA25.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 3,3-dimethyl-4-(7-oxabicyclo[4.1.0]heptan-3-ylmethyl)-7-oxabicyclo[4.1.0]heptane?
The IUPAC name of 3,3-dimethyl-4-(7-oxabicyclo[4.1.0]heptan-3-ylmethyl)-7-oxabicyclo[4.1.0]heptane (CID 20508832) is 3,3-dimethyl-4-(7-oxabicyclo[4.1.0]heptan-3-ylmethyl)-7-oxabicyclo[4.1.0]heptane.
What is the SMILES notation for 3,3-dimethyl-4-(7-oxabicyclo[4.1.0]heptan-3-ylmethyl)-7-oxabicyclo[4.1.0]heptane?
The canonical SMILES for 3,3-dimethyl-4-(7-oxabicyclo[4.1.0]heptan-3-ylmethyl)-7-oxabicyclo[4.1.0]heptane is CC1(C)CC2OC2CC1CC1CCC2OC2C1.
What is the InChIKey of 3,3-dimethyl-4-(7-oxabicyclo[4.1.0]heptan-3-ylmethyl)-7-oxabicyclo[4.1.0]heptane?
The InChIKey is LMJZKQCGLIWJQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-15(2)8-14-13(17-14)7-10(15)5-9-3-4-11-12(6-9)16-11/h9-14H,3-8H2,1-2H3.
What are the key properties of 3,3-dimethyl-4-(7-oxabicyclo[4.1.0]heptan-3-ylmethyl)-7-oxabicyclo[4.1.0]heptane?
3,3-dimethyl-4-(7-oxabicyclo[4.1.0]heptan-3-ylmethyl)-7-oxabicyclo[4.1.0]heptane has a molecular weight of 236.35 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-(7-oxabicyclo[4.1.0]heptan-3-ylmethyl)-7-oxabicyclo[4.1.0]heptane is sourced from PubChem (CID 20508832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).