(1S,3R,6R,7S,9R)-3,6-dimethyl-9-propan-2-yltricyclo[4.3.1.03,7]decane-2,5-dione

C15H22O2 — CID 10681215

IUPAC(1S,3R,6R,7S,9R)-3,6-dimethyl-9-propan-2-yltricyclo[4.3.1.03,7]decane-2,5-dione
SMILESCC(C)[C@H]1C[C@H]2[C@@]3(C)C[C@@H]1C(=O)[C@]2(C)CC3=O
InChIInChI=1S/C15H22O2/c1-8(2)9-5-11-14(3)6-10(9)13(17)15(11,4)7-12(14)16/h8-11H,5-7H2,1-4H3/t9-,10+,11+,14-,15-/m1/s1
InChIKeyHEMBWBQQSSVUPN-CDYMVBJSSA-N
MW234.34 g/mol
LogP2.85
Rot. Bonds1

About (1S,3R,6R,7S,9R)-3,6-dimethyl-9-propan-2-yltricyclo[4.3.1.03,7]decane-2,5-dione

(1S,3R,6R,7S,9R)-3,6-dimethyl-9-propan-2-yltricyclo[4.3.1.03,7]decane-2,5-dione (PubChem CID 10681215) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is (1S,3R,6R,7S,9R)-3,6-dimethyl-9-propan-2-yltricyclo[4.3.1.03,7]decane-2,5-dione.

Molecular Properties

Compound Name(1S,3R,6R,7S,9R)-3,6-dimethyl-9-propan-2-yltricyclo[4.3.1.03,7]decane-2,5-dione
PubChem CID10681215
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name(1S,3R,6R,7S,9R)-3,6-dimethyl-9-propan-2-yltricyclo[4.3.1.03,7]decane-2,5-dione
SMILESCC(C)[C@H]1C[C@H]2[C@@]3(C)C[C@@H]1C(=O)[C@]2(C)CC3=O
InChIInChI=1S/C15H22O2/c1-8(2)9-5-11-14(3)6-10(9)13(17)15(11,4)7-12(14)16/h8-11H,5-7H2,1-4H3/t9-,10+,11+,14-,15-/m1/s1
InChIKeyHEMBWBQQSSVUPN-CDYMVBJSSA-N
XLogP2.85
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1S,3R,6R,7S,9R)-3,6-dimethyl-9-propan-2-yltricyclo[4.3.1.03,7]decane-2,5-dione 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

1,4,4-trimethylbicyclo[4.1.0]heptane-2,5-dione
CID 12640427
(1S,4R,5R)-1-methyl-4-propan-2-ylbicyclo[3.2.1]octane-6,8-dione
CID 53360068
1,5-dimethyltricyclo[3.3.1.02,7]nonan-8-one
CID 130037243
(4R)-1-hydroxy-3-methyl-2-oxo-4-propan-2-ylcyclopentane-1-carbonitrile
CID 134859562
(1R,3S,6S,7R,9Z,11R)-3,10-dimethyl-14-methylidene-6-propan-2-yltricyclo[9.3.0.03,7]tetradec-9-en-4-one
CID 155561752
methyl (1S,3R,5R,6S,7S,9S)-3,9-dimethyl-2-oxo-5-propan-2-yltricyclo[4.3.1.03,7]decane-9-carboxylate
CID 11529221
1,1-dimethyl-2-(2-propan-2-ylcyclopropyl)cyclopropane
CID 123309747
(3,3-dimethylazetidin-1-yl)-[4-[(1S,2R)-2-propan-2-ylcyclopropyl]phenyl]methanone
CID 166826528
2,2,4,4-tetramethyl-6-(3-methylbutan-2-ylamino)cyclohexane-1,3,5-trione
CID 59996056
(1R,6S,7R)-1,4,4-trimethyl-2-oxobicyclo[4.2.0]octane-7-carbonitrile
CID 102070559
(5S,7S)-1,2-dimethyltricyclo[3.2.0.02,7]heptan-4-one
CID 130271472
2,2,5-trimethyl-5-(5-methyl-2-propan-2-ylcyclohexyl)cyclopentan-1-one
CID 23154684

Frequently Asked Questions

What is the IUPAC name of (1S,3R,6R,7S,9R)-3,6-dimethyl-9-propan-2-yltricyclo[4.3.1.03,7]decane-2,5-dione?
The IUPAC name of (1S,3R,6R,7S,9R)-3,6-dimethyl-9-propan-2-yltricyclo[4.3.1.03,7]decane-2,5-dione (CID 10681215) is (1S,3R,6R,7S,9R)-3,6-dimethyl-9-propan-2-yltricyclo[4.3.1.03,7]decane-2,5-dione.
What is the SMILES notation for (1S,3R,6R,7S,9R)-3,6-dimethyl-9-propan-2-yltricyclo[4.3.1.03,7]decane-2,5-dione?
The canonical SMILES for (1S,3R,6R,7S,9R)-3,6-dimethyl-9-propan-2-yltricyclo[4.3.1.03,7]decane-2,5-dione is CC(C)[C@H]1C[C@H]2[C@@]3(C)C[C@@H]1C(=O)[C@]2(C)CC3=O.
What is the InChIKey of (1S,3R,6R,7S,9R)-3,6-dimethyl-9-propan-2-yltricyclo[4.3.1.03,7]decane-2,5-dione?
The InChIKey is HEMBWBQQSSVUPN-CDYMVBJSSA-N. The full InChI is InChI=1S/C15H22O2/c1-8(2)9-5-11-14(3)6-10(9)13(17)15(11,4)7-12(14)16/h8-11H,5-7H2,1-4H3/t9-,10+,11+,14-,15-/m1/s1.
What are the key properties of (1S,3R,6R,7S,9R)-3,6-dimethyl-9-propan-2-yltricyclo[4.3.1.03,7]decane-2,5-dione?
(1S,3R,6R,7S,9R)-3,6-dimethyl-9-propan-2-yltricyclo[4.3.1.03,7]decane-2,5-dione has a molecular weight of 234.34 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3R,6R,7S,9R)-3,6-dimethyl-9-propan-2-yltricyclo[4.3.1.03,7]decane-2,5-dione is sourced from PubChem (CID 10681215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).