8,8-dimethyl-4,6-bis(prop-1-en-2-yl)bicyclo[5.1.0]octan-2-one

C16H24O — CID 91749847

IUPAC8,8-dimethyl-4,6-bis(prop-1-en-2-yl)bicyclo[5.1.0]octan-2-one
SMILESC=C(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/h11-12,14-15H,1,3,7-8H2,2,4-6H3
InChIKeyDVEMIUDQMPVUPV-UHFFFAOYSA-N
MW232.37 g/mol
LogP4.01
Rot. Bonds2

About 8,8-dimethyl-4,6-bis(prop-1-en-2-yl)bicyclo[5.1.0]octan-2-one

8,8-dimethyl-4,6-bis(prop-1-en-2-yl)bicyclo[5.1.0]octan-2-one (PubChem CID 91749847) has the molecular formula C16H24O and a molecular weight of 232.37 g/mol. Its IUPAC name is 8,8-dimethyl-4,6-bis(prop-1-en-2-yl)bicyclo[5.1.0]octan-2-one.

Molecular Properties

Compound Name8,8-dimethyl-4,6-bis(prop-1-en-2-yl)bicyclo[5.1.0]octan-2-one
PubChem CID91749847
Molecular FormulaC16H24O
Molecular Weight232.37 g/mol
Exact Mass232.18
IUPAC Name8,8-dimethyl-4,6-bis(prop-1-en-2-yl)bicyclo[5.1.0]octan-2-one
SMILESC=C(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/h11-12,14-15H,1,3,7-8H2,2,4-6H3
InChIKeyDVEMIUDQMPVUPV-UHFFFAOYSA-N
XLogP4.01
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[(1S,1aR,2aR,5S,5aS,7aR)-2a,7a-dimethyl-5-prop-1-en-2-yl-1a,2,3,4,5,5a,6,7-octahydro-1H-cyclopropa[f]azulen-1-yl]butan-2-one
CID 53359311
Ctk0I7585
CID 10702182
1-Methyl-4-(1-methylethenyl)bicyclo[4.1.0]heptan-2-one
CID 24972755
(1R,2S,2'S,4R,5R,7R)-2'-ethenyl-5,8,8-trimethyl-2-(2-methylprop-2-enyl)spiro[bicyclo[5.1.0]octane-4,1'-cyclopentane]-3-one
CID 11150754
(1R,5S,9S,10R,12R,14R)-7,11,11,14-tetramethyltetracyclo[7.5.1.01,5.010,12]pentadec-6-en-15-one
CID 11334783
(1S,2'S,4R,4'S,5R,7R)-2',4'-bis(ethenyl)-5,8,8-trimethylspiro[bicyclo[5.1.0]octane-4,1'-cyclopentane]-3-one
CID 11448681
(1S,6R)-7-methyl-7-prop-2-enylbicyclo[4.1.0]heptan-2-one
CID 134924832
(1R,3S,8R)-3,7,7,10-Tetramethyltricyclo[6.4.0.0^1,3^]dodec-9-en-11-one
CID 139086399
Bicyclo[5.1.0]octan-2-one, 4,6-diisopropylidene-8,8-dimethyl-
CID 534691
1-(3-Isopropenyl-2,2-dimethylcyclopropyl)-2-methylpropan-1-one
CID 538941
7,7-Dimethyl-3-methylenebicyclo[4.1.0]heptan-2-one
CID 556185
1,5-Cyclooctanedione, 2,2,6-trimethyl-7-(1-methylethenyl)-
CID 557673

Frequently Asked Questions

What is the IUPAC name of 8,8-dimethyl-4,6-bis(prop-1-en-2-yl)bicyclo[5.1.0]octan-2-one?
The IUPAC name of 8,8-dimethyl-4,6-bis(prop-1-en-2-yl)bicyclo[5.1.0]octan-2-one (CID 91749847) is 8,8-dimethyl-4,6-bis(prop-1-en-2-yl)bicyclo[5.1.0]octan-2-one.
What is the SMILES notation for 8,8-dimethyl-4,6-bis(prop-1-en-2-yl)bicyclo[5.1.0]octan-2-one?
The canonical SMILES for 8,8-dimethyl-4,6-bis(prop-1-en-2-yl)bicyclo[5.1.0]octan-2-one is C=C(C)C1CC(=O)C2C(C(C(=C)C)C1)C2(C)C.
What is the InChIKey of 8,8-dimethyl-4,6-bis(prop-1-en-2-yl)bicyclo[5.1.0]octan-2-one?
The InChIKey is DVEMIUDQMPVUPV-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/h11-12,14-15H,1,3,7-8H2,2,4-6H3.
What are the key properties of 8,8-dimethyl-4,6-bis(prop-1-en-2-yl)bicyclo[5.1.0]octan-2-one?
8,8-dimethyl-4,6-bis(prop-1-en-2-yl)bicyclo[5.1.0]octan-2-one has a molecular weight of 232.37 g/mol, XLogP of 4.01, 2 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-bis(prop-1-en-2-yl)bicyclo[5.1.0]octan-2-one is sourced from PubChem (CID 91749847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).