1-methyl-2-methylidene-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptane

C11H16O — CID 74332130

IUPAC1-methyl-2-methylidene-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptane
SMILESC=C(C)C1CC(=C)C2(C)OC2C1
InChIInChI=1S/C11H16O/c1-7(2)9-5-8(3)11(4)10(6-9)12-11/h9-10H,1,3,5-6H2,2,4H3
InChIKeyFGTDBQOZSXDUKZ-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.69
Rot. Bonds1

About 1-methyl-2-methylidene-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptane

1-methyl-2-methylidene-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptane (PubChem CID 74332130) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is 1-methyl-2-methylidene-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name1-methyl-2-methylidene-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptane
PubChem CID74332130
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name1-methyl-2-methylidene-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptane
SMILESC=C(C)C1CC(=C)C2(C)OC2C1
InChIInChI=1S/C11H16O/c1-7(2)9-5-8(3)11(4)10(6-9)12-11/h9-10H,1,3,5-6H2,2,4H3
InChIKeyFGTDBQOZSXDUKZ-UHFFFAOYSA-N
XLogP2.69
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-2-methylidene-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptane?
The IUPAC name of 1-methyl-2-methylidene-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptane (CID 74332130) is 1-methyl-2-methylidene-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptane.
What is the SMILES notation for 1-methyl-2-methylidene-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptane?
The canonical SMILES for 1-methyl-2-methylidene-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptane is C=C(C)C1CC(=C)C2(C)OC2C1.
What is the InChIKey of 1-methyl-2-methylidene-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptane?
The InChIKey is FGTDBQOZSXDUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O/c1-7(2)9-5-8(3)11(4)10(6-9)12-11/h9-10H,1,3,5-6H2,2,4H3.
What are the key properties of 1-methyl-2-methylidene-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptane?
1-methyl-2-methylidene-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptane has a molecular weight of 164.25 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-methylidene-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptane is sourced from PubChem (CID 74332130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).