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

C15H24O2 — CID 57084150

IUPAC3,4-dimethyl-3-(7-oxabicyclo[4.1.0]heptan-3-ylmethyl)-7-oxabicyclo[4.1.0]heptane
SMILESCC1CC2OC2CC1(C)CC1CCC2OC2C1
InChIInChI=1S/C15H24O2/c1-9-5-12-14(17-12)8-15(9,2)7-10-3-4-11-13(6-10)16-11/h9-14H,3-8H2,1-2H3
InChIKeyJEAOHFPUFCZPNU-UHFFFAOYSA-N
MW236.35 g/mol
LogP3.15
Rot. Bonds2

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

3,4-dimethyl-3-(7-oxabicyclo[4.1.0]heptan-3-ylmethyl)-7-oxabicyclo[4.1.0]heptane (PubChem CID 57084150) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 3,4-dimethyl-3-(7-oxabicyclo[4.1.0]heptan-3-ylmethyl)-7-oxabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name3,4-dimethyl-3-(7-oxabicyclo[4.1.0]heptan-3-ylmethyl)-7-oxabicyclo[4.1.0]heptane
PubChem CID57084150
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name3,4-dimethyl-3-(7-oxabicyclo[4.1.0]heptan-3-ylmethyl)-7-oxabicyclo[4.1.0]heptane
SMILESCC1CC2OC2CC1(C)CC1CCC2OC2C1
InChIInChI=1S/C15H24O2/c1-9-5-12-14(17-12)8-15(9,2)7-10-3-4-11-13(6-10)16-11/h9-14H,3-8H2,1-2H3
InChIKeyJEAOHFPUFCZPNU-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'}

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

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Related Compounds

3,3-dimethyl-4-(7-oxabicyclo[4.1.0]heptan-3-ylmethyl)-7-oxabicyclo[4.1.0]heptane
CID 20508832
3-(7-oxabicyclo[4.1.0]heptan-3-ylmethyl)-7-oxabicyclo[4.1.0]heptane-3-carbaldehyde
CID 173093624
3-[2-(3,3-dimethyloxiran-2-yl)ethyl]-7-oxabicyclo[4.1.0]heptane
CID 143374563
3,3-bis(7-oxabicyclo[4.1.0]heptan-3-ylmethyl)-7-oxabicyclo[4.1.0]heptane;1,3-dioxane
CID 175340624
3,4-dimethyl-7-oxabicyclo[4.1.0]heptan-3-ol
CID 154329896
3-(ethoxymethyl)-7-oxabicyclo[4.1.0]heptane
CID 23517822
CID 45052171
CID 45052171
3-[[3-(7-oxabicyclo[4.1.0]heptan-3-ylmethyl)spiro[5.5]undecan-3-yl]methyl]-7-oxabicyclo[4.1.0]heptane
CID 139929534
cyclopentane;7-oxabicyclo[4.1.0]heptan-3-ylmethanol
CID 21219626
CID 22630444
CID 22630444
4-(8-oxabicyclo[5.1.0]octan-4-ylmethyl)-8-oxabicyclo[5.1.0]octane
CID 21344282
3-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-7-oxabicyclo[4.1.0]heptane-3-carboxylic acid
CID 87435740

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-3-(7-oxabicyclo[4.1.0]heptan-3-ylmethyl)-7-oxabicyclo[4.1.0]heptane?
The IUPAC name of 3,4-dimethyl-3-(7-oxabicyclo[4.1.0]heptan-3-ylmethyl)-7-oxabicyclo[4.1.0]heptane (CID 57084150) is 3,4-dimethyl-3-(7-oxabicyclo[4.1.0]heptan-3-ylmethyl)-7-oxabicyclo[4.1.0]heptane.
What is the SMILES notation for 3,4-dimethyl-3-(7-oxabicyclo[4.1.0]heptan-3-ylmethyl)-7-oxabicyclo[4.1.0]heptane?
The canonical SMILES for 3,4-dimethyl-3-(7-oxabicyclo[4.1.0]heptan-3-ylmethyl)-7-oxabicyclo[4.1.0]heptane is CC1CC2OC2CC1(C)CC1CCC2OC2C1.
What is the InChIKey of 3,4-dimethyl-3-(7-oxabicyclo[4.1.0]heptan-3-ylmethyl)-7-oxabicyclo[4.1.0]heptane?
The InChIKey is JEAOHFPUFCZPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-9-5-12-14(17-12)8-15(9,2)7-10-3-4-11-13(6-10)16-11/h9-14H,3-8H2,1-2H3.
What are the key properties of 3,4-dimethyl-3-(7-oxabicyclo[4.1.0]heptan-3-ylmethyl)-7-oxabicyclo[4.1.0]heptane?
3,4-dimethyl-3-(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 3,4-dimethyl-3-(7-oxabicyclo[4.1.0]heptan-3-ylmethyl)-7-oxabicyclo[4.1.0]heptane is sourced from PubChem (CID 57084150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).