1-(3,3,6-trimethyl-6-bicyclo[3.2.1]octanyl)ethanone

C13H22O — CID 123180070

IUPAC1-(3,3,6-trimethyl-6-bicyclo[3.2.1]octanyl)ethanone
SMILESCC(=O)C1(C)CC2CC1CC(C)(C)C2
InChIInChI=1S/C13H22O/c1-9(14)13(4)7-10-5-11(13)8-12(2,3)6-10/h10-11H,5-8H2,1-4H3
InChIKeyRSCVMRBXUQSYLD-UHFFFAOYSA-N
MW194.32 g/mol
LogP3.43
Rot. Bonds1

About 1-(3,3,6-trimethyl-6-bicyclo[3.2.1]octanyl)ethanone

1-(3,3,6-trimethyl-6-bicyclo[3.2.1]octanyl)ethanone (PubChem CID 123180070) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is 1-(3,3,6-trimethyl-6-bicyclo[3.2.1]octanyl)ethanone.

Molecular Properties

Compound Name1-(3,3,6-trimethyl-6-bicyclo[3.2.1]octanyl)ethanone
PubChem CID123180070
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name1-(3,3,6-trimethyl-6-bicyclo[3.2.1]octanyl)ethanone
SMILESCC(=O)C1(C)CC2CC1CC(C)(C)C2
InChIInChI=1S/C13H22O/c1-9(14)13(4)7-10-5-11(13)8-12(2,3)6-10/h10-11H,5-8H2,1-4H3
InChIKeyRSCVMRBXUQSYLD-UHFFFAOYSA-N
XLogP3.43
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(3,3,6-trimethyl-6-bicyclo[3.2.1]octanyl)ethanone 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-[(1S,2S,4R)-2-methyl-2-bicyclo[2.2.1]heptanyl]ethanone
CID 131122993
1-(4-hydroxy-4-methyl-1-adamantyl)ethanone
CID 122499390
1-[(1S,2R)-2-acetyl-4,4-dimethylcyclopentyl]ethanone
CID 164669308
methyl (1R,2R,4S)-2-methylbicyclo[2.2.1]heptane-2-carboxylate
CID 6427528
(1R,2R,4R)-N,N,2-trimethylbicyclo[2.2.1]heptane-2-carboxamide
CID 98511309
1-[(1R,2S)-2-ethyl-1-methylcyclopropyl]ethanone
CID 89117681
N-(5-acetamido-3,3-dimethylcyclohexyl)acetamide
CID 23292846
(1S,2S,4R)-N-carbamoyl-2-methylbicyclo[2.2.1]heptane-2-carboxamide
CID 21152855
1-(2,3,8,8a-tetramethyl-1,3,4,4a,5,6,7,8-octahydronaphthalen-2-yl)ethanone
CID 175456204
1-[(1S,2S)-2-hydroxy-1-methylcyclohexyl]ethanone
CID 42646159
1-spiro[1,3-dioxolane-2,2'-adamantane]-1'-ylethanone
CID 606189
(3R)-7-methyltricyclo[3.3.1.01,3]nonane-7-carbonyl chloride
CID 163445637

Frequently Asked Questions

What is the IUPAC name of 1-(3,3,6-trimethyl-6-bicyclo[3.2.1]octanyl)ethanone?
The IUPAC name of 1-(3,3,6-trimethyl-6-bicyclo[3.2.1]octanyl)ethanone (CID 123180070) is 1-(3,3,6-trimethyl-6-bicyclo[3.2.1]octanyl)ethanone.
What is the SMILES notation for 1-(3,3,6-trimethyl-6-bicyclo[3.2.1]octanyl)ethanone?
The canonical SMILES for 1-(3,3,6-trimethyl-6-bicyclo[3.2.1]octanyl)ethanone is CC(=O)C1(C)CC2CC1CC(C)(C)C2.
What is the InChIKey of 1-(3,3,6-trimethyl-6-bicyclo[3.2.1]octanyl)ethanone?
The InChIKey is RSCVMRBXUQSYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O/c1-9(14)13(4)7-10-5-11(13)8-12(2,3)6-10/h10-11H,5-8H2,1-4H3.
What are the key properties of 1-(3,3,6-trimethyl-6-bicyclo[3.2.1]octanyl)ethanone?
1-(3,3,6-trimethyl-6-bicyclo[3.2.1]octanyl)ethanone has a molecular weight of 194.32 g/mol, XLogP of 3.43, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3,6-trimethyl-6-bicyclo[3.2.1]octanyl)ethanone is sourced from PubChem (CID 123180070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).