(1R,4R,6R,10S)-4,12,12-trimethyl-9-methylidenetricyclo[8.2.0.04,6]dodecan-5-one

C16H24O — CID 14697675

IUPAC(1R,4R,6R,10S)-4,12,12-trimethyl-9-methylidenetricyclo[8.2.0.04,6]dodecan-5-one
SMILESC=C1CC[C@H]2C(=O)[C@]2(C)CC[C@@H]2[C@@H]1CC2(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/t11-,12-,13+,16-/m1/s1
InChIKeySNVUDGMIDCJEIG-NFFDBFGFSA-N
MW232.37 g/mol
LogP3.98
Rot. Bonds

About (1R,4R,6R,10S)-4,12,12-trimethyl-9-methylidenetricyclo[8.2.0.04,6]dodecan-5-one

(1R,4R,6R,10S)-4,12,12-trimethyl-9-methylidenetricyclo[8.2.0.04,6]dodecan-5-one (PubChem CID 14697675) has the molecular formula C16H24O and a molecular weight of 232.37 g/mol. Its IUPAC name is (1R,4R,6R,10S)-4,12,12-trimethyl-9-methylidenetricyclo[8.2.0.04,6]dodecan-5-one.

Molecular Properties

Compound Name(1R,4R,6R,10S)-4,12,12-trimethyl-9-methylidenetricyclo[8.2.0.04,6]dodecan-5-one
PubChem CID14697675
Molecular FormulaC16H24O
Molecular Weight232.37 g/mol
Exact Mass232.18
IUPAC Name(1R,4R,6R,10S)-4,12,12-trimethyl-9-methylidenetricyclo[8.2.0.04,6]dodecan-5-one
SMILESC=C1CC[C@H]2C(=O)[C@]2(C)CC[C@@H]2[C@@H]1CC2(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/t11-,12-,13+,16-/m1/s1
InChIKeySNVUDGMIDCJEIG-NFFDBFGFSA-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'}

Analyze (1R,4R,6R,10S)-4,12,12-trimethyl-9-methylidenetricyclo[8.2.0.04,6]dodecan-5-one with MolForge

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

Launch Full Analysis

Related Compounds

Bicyclo[7.2.0]undecan-5-one, 6,10,10-trimethyl-2-methylene-
CID 4552810
Ethanone, 1-(10,10-dimethyl-2,6-bis(methylene)bicyclo(7.2.0)undec-5-yl)-
CID 108362
Bicyclo(7.2.0)undecan-5-one, 10,10-dimethyl-2-methylene-, (1S,9R)-
CID 10750808
(1R,6S,9S,10S)-6,10-dimethyl-2-methylidene-10-(4-methyl-3-oxopentyl)bicyclo[7.2.0]undecan-5-one
CID 25210063
(1R,6R,9S)-6,10,10-trimethyl-2-methylidenebicyclo[7.2.0]undecan-4-one
CID 162910133
6,10,10-Trimethyl-2-methylidenebicyclo[7.2.0]undecan-4-one
CID 53438182
(1S,6R,9R,10R)-6,10-dimethyl-2-methylidene-10-(4-methyl-3-oxopentyl)bicyclo[7.2.0]undecan-5-one
CID 163024915
Caryophylla-2(12),6(13)-dien-5-one
CID 91748756
4-Desmethyl caryophylla-8(14)-en-5-one
CID 85255708
10,10-Dimethyl-2,6-dimethylidenebicyclo[7.2.0]undecan-5-one
CID 15825504
1-[(1R,8S)-10,10-dimethyl-7-methylidene-4-bicyclo[6.2.0]decanyl]ethanone
CID 121412742
2-Butyl-2-ethyl-3-prop-1-en-2-ylcyclobutan-1-one
CID 134988254

Frequently Asked Questions

What is the IUPAC name of (1R,4R,6R,10S)-4,12,12-trimethyl-9-methylidenetricyclo[8.2.0.04,6]dodecan-5-one?
The IUPAC name of (1R,4R,6R,10S)-4,12,12-trimethyl-9-methylidenetricyclo[8.2.0.04,6]dodecan-5-one (CID 14697675) is (1R,4R,6R,10S)-4,12,12-trimethyl-9-methylidenetricyclo[8.2.0.04,6]dodecan-5-one.
What is the SMILES notation for (1R,4R,6R,10S)-4,12,12-trimethyl-9-methylidenetricyclo[8.2.0.04,6]dodecan-5-one?
The canonical SMILES for (1R,4R,6R,10S)-4,12,12-trimethyl-9-methylidenetricyclo[8.2.0.04,6]dodecan-5-one is C=C1CC[C@H]2C(=O)[C@]2(C)CC[C@@H]2[C@@H]1CC2(C)C.
What is the InChIKey of (1R,4R,6R,10S)-4,12,12-trimethyl-9-methylidenetricyclo[8.2.0.04,6]dodecan-5-one?
The InChIKey is SNVUDGMIDCJEIG-NFFDBFGFSA-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/t11-,12-,13+,16-/m1/s1.
What are the key properties of (1R,4R,6R,10S)-4,12,12-trimethyl-9-methylidenetricyclo[8.2.0.04,6]dodecan-5-one?
(1R,4R,6R,10S)-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 (1R,4R,6R,10S)-4,12,12-trimethyl-9-methylidenetricyclo[8.2.0.04,6]dodecan-5-one is sourced from PubChem (CID 14697675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).