4,12,12-trimethyl-9-methylidenetricyclo[8.2.0.04,6]dodecan-5-one

C16H24O — CID 14697674

IUPAC4,12,12-trimethyl-9-methylidenetricyclo[8.2.0.04,6]dodecan-5-one
SMILESC=C1CCC2C(=O)C2(C)CCC2C1CC2(C)C
InChIInChI=1S/C16H24O/c1-10-5-6-13-14(17)16(13,4)8-7-12-11(10)9-15(12,2)3/h11-13H,1,5-9H2,2-4H3
InChIKeySNVUDGMIDCJEIG-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.98
Rot. Bonds

About 4,12,12-trimethyl-9-methylidenetricyclo[8.2.0.04,6]dodecan-5-one

4,12,12-trimethyl-9-methylidenetricyclo[8.2.0.04,6]dodecan-5-one (PubChem CID 14697674) has the molecular formula C16H24O and a molecular weight of 232.37 g/mol. Its IUPAC name is 4,12,12-trimethyl-9-methylidenetricyclo[8.2.0.04,6]dodecan-5-one.

Molecular Properties

Compound Name4,12,12-trimethyl-9-methylidenetricyclo[8.2.0.04,6]dodecan-5-one
PubChem CID14697674
Molecular FormulaC16H24O
Molecular Weight232.37 g/mol
Exact Mass232.18
IUPAC Name4,12,12-trimethyl-9-methylidenetricyclo[8.2.0.04,6]dodecan-5-one
SMILESC=C1CCC2C(=O)C2(C)CCC2C1CC2(C)C
InChIInChI=1S/C16H24O/c1-10-5-6-13-14(17)16(13,4)8-7-12-11(10)9-15(12,2)3/h11-13H,1,5-9H2,2-4H3
InChIKeySNVUDGMIDCJEIG-UHFFFAOYSA-N
XLogP3.98
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 ≤ 53.98
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

(1R,4R,8S)-4,10,10-trimethyl-7-methylidenebicyclo[6.2.0]decane-4-carbaldehyde
CID 162391180
1-[(1R,4S,8S)-10,10-dimethyl-7-methylidene-4-bicyclo[6.2.0]decanyl]ethanone
CID 121415673
N-oxido-N-(6,10,10-trimethyl-2-methylidene-6-nitroso-5-bicyclo[7.2.0]undecanyl)hydroxylamine
CID 21122331
(1S,6S,9R)-6,10,10-trimethyl-2-methylidenebicyclo[7.2.0]undecan-5-ol
CID 122525723
5-hydroxy-10,10-dimethyl-6-methylidenebicyclo[7.2.0]undecan-2-one
CID 3860435
11,11-dimethyl-8-methylidenebicyclo[7.2.0]undecane-4-carbaldehyde
CID 85157604
(1R,4Z,9S)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene
CID 5281522
(1R,4S,6S)-4,12,12-trimethyltricyclo[8.2.0.04,6]dodecan-9-one
CID 90336150
(1S,4E)-5,9,9-trimethyl-2-methylidenebicyclo[6.2.0]dec-4-ene
CID 16758050
(3R,4S)-4,12,12-trimethyl-9-methylidene-5-oxatricyclo[8.2.0.04,6]dodecan-3-ol
CID 22297359
(3aR,3bS,6aS,7aS)-5,5,7a-trimethyl-3-methylidene-2,3a,3b,4,6,6a-hexahydro-1H-cyclopenta[a]pentalen-7-one
CID 11333453
(1aS,4aS,7aS,7bR)-3,3,7b-trimethyl-5-methylidene-1,1a,2,4,4a,6,7,7a-octahydrocyclopropa[e]azulene
CID 42608165

Frequently Asked Questions

What is the IUPAC name of 4,12,12-trimethyl-9-methylidenetricyclo[8.2.0.04,6]dodecan-5-one?
The IUPAC name of 4,12,12-trimethyl-9-methylidenetricyclo[8.2.0.04,6]dodecan-5-one (CID 14697674) is 4,12,12-trimethyl-9-methylidenetricyclo[8.2.0.04,6]dodecan-5-one.
What is the SMILES notation for 4,12,12-trimethyl-9-methylidenetricyclo[8.2.0.04,6]dodecan-5-one?
The canonical SMILES for 4,12,12-trimethyl-9-methylidenetricyclo[8.2.0.04,6]dodecan-5-one is C=C1CCC2C(=O)C2(C)CCC2C1CC2(C)C.
What is the InChIKey of 4,12,12-trimethyl-9-methylidenetricyclo[8.2.0.04,6]dodecan-5-one?
The InChIKey is SNVUDGMIDCJEIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O/c1-10-5-6-13-14(17)16(13,4)8-7-12-11(10)9-15(12,2)3/h11-13H,1,5-9H2,2-4H3.
What are the key properties of 4,12,12-trimethyl-9-methylidenetricyclo[8.2.0.04,6]dodecan-5-one?
4,12,12-trimethyl-9-methylidenetricyclo[8.2.0.04,6]dodecan-5-one has a molecular weight of 232.37 g/mol, XLogP of 3.98, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,12,12-trimethyl-9-methylidenetricyclo[8.2.0.04,6]dodecan-5-one is sourced from PubChem (CID 14697674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).