1-methyl-4-propan-2-ylidene-7-oxabicyclo[4.1.0]heptane

C10H16O — CID 91747490

IUPAC1-methyl-4-propan-2-ylidene-7-oxabicyclo[4.1.0]heptane
SMILESCC(C)=C1CCC2(C)OC2C1
InChIInChI=1S/C10H16O/c1-7(2)8-4-5-10(3)9(6-8)11-10/h9H,4-6H2,1-3H3
InChIKeyUFPFCBUOSFFMKS-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.66
Rot. Bonds

About 1-methyl-4-propan-2-ylidene-7-oxabicyclo[4.1.0]heptane

1-methyl-4-propan-2-ylidene-7-oxabicyclo[4.1.0]heptane (PubChem CID 91747490) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 1-methyl-4-propan-2-ylidene-7-oxabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name1-methyl-4-propan-2-ylidene-7-oxabicyclo[4.1.0]heptane
PubChem CID91747490
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name1-methyl-4-propan-2-ylidene-7-oxabicyclo[4.1.0]heptane
SMILESCC(C)=C1CCC2(C)OC2C1
InChIInChI=1S/C10H16O/c1-7(2)8-4-5-10(3)9(6-8)11-10/h9H,4-6H2,1-3H3
InChIKeyUFPFCBUOSFFMKS-UHFFFAOYSA-N
XLogP2.66
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.66
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-4-propan-2-ylidene-7-oxabicyclo[4.1.0]heptane?
The IUPAC name of 1-methyl-4-propan-2-ylidene-7-oxabicyclo[4.1.0]heptane (CID 91747490) is 1-methyl-4-propan-2-ylidene-7-oxabicyclo[4.1.0]heptane.
What is the SMILES notation for 1-methyl-4-propan-2-ylidene-7-oxabicyclo[4.1.0]heptane?
The canonical SMILES for 1-methyl-4-propan-2-ylidene-7-oxabicyclo[4.1.0]heptane is CC(C)=C1CCC2(C)OC2C1.
What is the InChIKey of 1-methyl-4-propan-2-ylidene-7-oxabicyclo[4.1.0]heptane?
The InChIKey is UFPFCBUOSFFMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-7(2)8-4-5-10(3)9(6-8)11-10/h9H,4-6H2,1-3H3.
What are the key properties of 1-methyl-4-propan-2-ylidene-7-oxabicyclo[4.1.0]heptane?
1-methyl-4-propan-2-ylidene-7-oxabicyclo[4.1.0]heptane has a molecular weight of 152.24 g/mol, XLogP of 2.66, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-propan-2-ylidene-7-oxabicyclo[4.1.0]heptane is sourced from PubChem (CID 91747490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).