6-methyl-6-prop-1-en-2-yl-8-oxabicyclo[3.2.1]oct-3-en-2-one

C11H14O2 — CID 13031663

IUPAC6-methyl-6-prop-1-en-2-yl-8-oxabicyclo[3.2.1]oct-3-en-2-one
SMILESC=C(C)C1(C)CC2OC1C=CC2=O
InChIInChI=1S/C11H14O2/c1-7(2)11(3)6-9-8(12)4-5-10(11)13-9/h4-5,9-10H,1,6H2,2-3H3
InChIKeyBSWSEVKAHNHPHH-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.87
Rot. Bonds1

About 6-methyl-6-prop-1-en-2-yl-8-oxabicyclo[3.2.1]oct-3-en-2-one

6-methyl-6-prop-1-en-2-yl-8-oxabicyclo[3.2.1]oct-3-en-2-one (PubChem CID 13031663) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 6-methyl-6-prop-1-en-2-yl-8-oxabicyclo[3.2.1]oct-3-en-2-one.

Molecular Properties

Compound Name6-methyl-6-prop-1-en-2-yl-8-oxabicyclo[3.2.1]oct-3-en-2-one
PubChem CID13031663
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name6-methyl-6-prop-1-en-2-yl-8-oxabicyclo[3.2.1]oct-3-en-2-one
SMILESC=C(C)C1(C)CC2OC1C=CC2=O
InChIInChI=1S/C11H14O2/c1-7(2)11(3)6-9-8(12)4-5-10(11)13-9/h4-5,9-10H,1,6H2,2-3H3
InChIKeyBSWSEVKAHNHPHH-UHFFFAOYSA-N
XLogP1.87
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-methyl-6-prop-1-en-2-yl-8-oxabicyclo[3.2.1]oct-3-en-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-methyl-6-prop-1-en-2-yl-8-oxabicyclo[3.2.1]oct-3-en-2-one?
The IUPAC name of 6-methyl-6-prop-1-en-2-yl-8-oxabicyclo[3.2.1]oct-3-en-2-one (CID 13031663) is 6-methyl-6-prop-1-en-2-yl-8-oxabicyclo[3.2.1]oct-3-en-2-one.
What is the SMILES notation for 6-methyl-6-prop-1-en-2-yl-8-oxabicyclo[3.2.1]oct-3-en-2-one?
The canonical SMILES for 6-methyl-6-prop-1-en-2-yl-8-oxabicyclo[3.2.1]oct-3-en-2-one is C=C(C)C1(C)CC2OC1C=CC2=O.
What is the InChIKey of 6-methyl-6-prop-1-en-2-yl-8-oxabicyclo[3.2.1]oct-3-en-2-one?
The InChIKey is BSWSEVKAHNHPHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c1-7(2)11(3)6-9-8(12)4-5-10(11)13-9/h4-5,9-10H,1,6H2,2-3H3.
What are the key properties of 6-methyl-6-prop-1-en-2-yl-8-oxabicyclo[3.2.1]oct-3-en-2-one?
6-methyl-6-prop-1-en-2-yl-8-oxabicyclo[3.2.1]oct-3-en-2-one has a molecular weight of 178.23 g/mol, XLogP of 1.87, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-6-prop-1-en-2-yl-8-oxabicyclo[3.2.1]oct-3-en-2-one is sourced from PubChem (CID 13031663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).