8,8-dimethyl-4,6-di(propan-2-ylidene)bicyclo[5.1.0]octan-2-one

C16H24O — CID 534691

IUPAC8,8-dimethyl-4,6-di(propan-2-ylidene)bicyclo[5.1.0]octan-2-one
SMILESCC(C)=C1CC(=O)C2C(C(=C(C)C)C1)C2(C)C
InChIInChI=1S/C16H24O/c1-9(2)11-7-12(10(3)4)14-15(13(17)8-11)16(14,5)6/h14-15H,7-8H2,1-6H3
InChIKeyBJIUWMQQJBNZGM-UHFFFAOYSA-N
MW232.37 g/mol
LogP4.29
Rot. Bonds

About 8,8-dimethyl-4,6-di(propan-2-ylidene)bicyclo[5.1.0]octan-2-one

8,8-dimethyl-4,6-di(propan-2-ylidene)bicyclo[5.1.0]octan-2-one (PubChem CID 534691) has the molecular formula C16H24O and a molecular weight of 232.37 g/mol. Its IUPAC name is 8,8-dimethyl-4,6-di(propan-2-ylidene)bicyclo[5.1.0]octan-2-one.

Molecular Properties

Compound Name8,8-dimethyl-4,6-di(propan-2-ylidene)bicyclo[5.1.0]octan-2-one
PubChem CID534691
Molecular FormulaC16H24O
Molecular Weight232.37 g/mol
Exact Mass232.18
IUPAC Name8,8-dimethyl-4,6-di(propan-2-ylidene)bicyclo[5.1.0]octan-2-one
SMILESCC(C)=C1CC(=O)C2C(C(=C(C)C)C1)C2(C)C
InChIInChI=1S/C16H24O/c1-9(2)11-7-12(10(3)4)14-15(13(17)8-11)16(14,5)6/h14-15H,7-8H2,1-6H3
InChIKeyBJIUWMQQJBNZGM-UHFFFAOYSA-N
XLogP4.29
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8,8-dimethyl-4,6-di(propan-2-ylidene)bicyclo[5.1.0]octan-2-one?
The IUPAC name of 8,8-dimethyl-4,6-di(propan-2-ylidene)bicyclo[5.1.0]octan-2-one (CID 534691) is 8,8-dimethyl-4,6-di(propan-2-ylidene)bicyclo[5.1.0]octan-2-one.
What is the SMILES notation for 8,8-dimethyl-4,6-di(propan-2-ylidene)bicyclo[5.1.0]octan-2-one?
The canonical SMILES for 8,8-dimethyl-4,6-di(propan-2-ylidene)bicyclo[5.1.0]octan-2-one is CC(C)=C1CC(=O)C2C(C(=C(C)C)C1)C2(C)C.
What is the InChIKey of 8,8-dimethyl-4,6-di(propan-2-ylidene)bicyclo[5.1.0]octan-2-one?
The InChIKey is BJIUWMQQJBNZGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O/c1-9(2)11-7-12(10(3)4)14-15(13(17)8-11)16(14,5)6/h14-15H,7-8H2,1-6H3.
What are the key properties of 8,8-dimethyl-4,6-di(propan-2-ylidene)bicyclo[5.1.0]octan-2-one?
8,8-dimethyl-4,6-di(propan-2-ylidene)bicyclo[5.1.0]octan-2-one has a molecular weight of 232.37 g/mol, XLogP of 4.29, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dimethyl-4,6-di(propan-2-ylidene)bicyclo[5.1.0]octan-2-one is sourced from PubChem (CID 534691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).