1-methyl-3-[1-(6-methyl-7-oxabicyclo[4.1.0]heptan-2-yl)ethenyl]-7-oxabicyclo[4.1.0]heptane

C16H24O2 — CID 89274736

IUPAC1-methyl-3-[1-(6-methyl-7-oxabicyclo[4.1.0]heptan-2-yl)ethenyl]-7-oxabicyclo[4.1.0]heptane
SMILESC=C(C1CCC2OC2(C)C1)C1CCCC2(C)OC12
InChIInChI=1S/C16H24O2/c1-10(11-6-7-13-16(3,9-11)17-13)12-5-4-8-15(2)14(12)18-15/h11-14H,1,4-9H2,2-3H3
InChIKeyLDBBBZXSJFDOMV-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.46
Rot. Bonds2

About 1-methyl-3-[1-(6-methyl-7-oxabicyclo[4.1.0]heptan-2-yl)ethenyl]-7-oxabicyclo[4.1.0]heptane

1-methyl-3-[1-(6-methyl-7-oxabicyclo[4.1.0]heptan-2-yl)ethenyl]-7-oxabicyclo[4.1.0]heptane (PubChem CID 89274736) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-methyl-3-[1-(6-methyl-7-oxabicyclo[4.1.0]heptan-2-yl)ethenyl]-7-oxabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name1-methyl-3-[1-(6-methyl-7-oxabicyclo[4.1.0]heptan-2-yl)ethenyl]-7-oxabicyclo[4.1.0]heptane
PubChem CID89274736
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name1-methyl-3-[1-(6-methyl-7-oxabicyclo[4.1.0]heptan-2-yl)ethenyl]-7-oxabicyclo[4.1.0]heptane
SMILESC=C(C1CCC2OC2(C)C1)C1CCCC2(C)OC12
InChIInChI=1S/C16H24O2/c1-10(11-6-7-13-16(3,9-11)17-13)12-5-4-8-15(2)14(12)18-15/h11-14H,1,4-9H2,2-3H3
InChIKeyLDBBBZXSJFDOMV-UHFFFAOYSA-N
XLogP3.46
TPSA25.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[1-(6-methyl-7-oxabicyclo[4.1.0]heptan-2-yl)ethenyl]-7-oxabicyclo[4.1.0]heptane?
The IUPAC name of 1-methyl-3-[1-(6-methyl-7-oxabicyclo[4.1.0]heptan-2-yl)ethenyl]-7-oxabicyclo[4.1.0]heptane (CID 89274736) is 1-methyl-3-[1-(6-methyl-7-oxabicyclo[4.1.0]heptan-2-yl)ethenyl]-7-oxabicyclo[4.1.0]heptane.
What is the SMILES notation for 1-methyl-3-[1-(6-methyl-7-oxabicyclo[4.1.0]heptan-2-yl)ethenyl]-7-oxabicyclo[4.1.0]heptane?
The canonical SMILES for 1-methyl-3-[1-(6-methyl-7-oxabicyclo[4.1.0]heptan-2-yl)ethenyl]-7-oxabicyclo[4.1.0]heptane is C=C(C1CCC2OC2(C)C1)C1CCCC2(C)OC12.
What is the InChIKey of 1-methyl-3-[1-(6-methyl-7-oxabicyclo[4.1.0]heptan-2-yl)ethenyl]-7-oxabicyclo[4.1.0]heptane?
The InChIKey is LDBBBZXSJFDOMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-10(11-6-7-13-16(3,9-11)17-13)12-5-4-8-15(2)14(12)18-15/h11-14H,1,4-9H2,2-3H3.
What are the key properties of 1-methyl-3-[1-(6-methyl-7-oxabicyclo[4.1.0]heptan-2-yl)ethenyl]-7-oxabicyclo[4.1.0]heptane?
1-methyl-3-[1-(6-methyl-7-oxabicyclo[4.1.0]heptan-2-yl)ethenyl]-7-oxabicyclo[4.1.0]heptane has a molecular weight of 248.37 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[1-(6-methyl-7-oxabicyclo[4.1.0]heptan-2-yl)ethenyl]-7-oxabicyclo[4.1.0]heptane is sourced from PubChem (CID 89274736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).