1-(3,3-dimethyl-8-tricyclo[4.3.0.02,9]nonanyl)ethanone

C13H20O — CID 123978139

IUPAC1-(3,3-dimethyl-8-tricyclo[4.3.0.02,9]nonanyl)ethanone
SMILESCC(=O)C1CC2CCC(C)(C)C3C2C13
InChIInChI=1S/C13H20O/c1-7(14)9-6-8-4-5-13(2,3)12-10(8)11(9)12/h8-12H,4-6H2,1-3H3
InChIKeyVVHXBAWQFWEOQK-UHFFFAOYSA-N
MW192.30 g/mol
LogP2.89
Rot. Bonds1

About 1-(3,3-dimethyl-8-tricyclo[4.3.0.02,9]nonanyl)ethanone

1-(3,3-dimethyl-8-tricyclo[4.3.0.02,9]nonanyl)ethanone (PubChem CID 123978139) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is 1-(3,3-dimethyl-8-tricyclo[4.3.0.02,9]nonanyl)ethanone.

Molecular Properties

Compound Name1-(3,3-dimethyl-8-tricyclo[4.3.0.02,9]nonanyl)ethanone
PubChem CID123978139
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name1-(3,3-dimethyl-8-tricyclo[4.3.0.02,9]nonanyl)ethanone
SMILESCC(=O)C1CC2CCC(C)(C)C3C2C13
InChIInChI=1S/C13H20O/c1-7(14)9-6-8-4-5-13(2,3)12-10(8)11(9)12/h8-12H,4-6H2,1-3H3
InChIKeyVVHXBAWQFWEOQK-UHFFFAOYSA-N
XLogP2.89
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(3,3-dimethyl-8-tricyclo[4.3.0.02,9]nonanyl)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-(5,6,8,8-tetramethyl-5-tricyclo[5.4.1.03,12]dodecanyl)ethanone
CID 91380614
acetic acid;3,3-dimethyl-1,2,3a,4,5,6,7,7a-octahydroindene
CID 174905675
1-[(1S,2R)-2-acetyl-4,4-dimethylcyclopentyl]ethanone
CID 164669308
(1S,2R,3S,5R,6S,7R)-4,4-dimethyltetracyclo[5.2.1.02,6.03,5]decane
CID 134980447
1-(8-acetyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)ethanone
CID 70178194
1-[(3R,5R,8R,9R,10S,13S,14S,17S)-3-hydroxy-3-methyl-1,2,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydrocyclopenta[a]phenanthren-17-yl]ethanone
CID 71554285
1-[(2R,3S)-3-(2,2,6-trimethylcyclohexyl)oxiran-2-yl]ethanone
CID 22789992
N,N,2,2-tetramethylcyclohexane-1-carboxamide
CID 107180263
1-methyltetracyclo[6.2.1.13,6.02,7]dodecane
CID 12936587
1-(2-cyclopentylcyclopropyl)ethanone
CID 62313246
5-acetylbicyclo[2.2.1]heptane-2-carbothioic S-acid
CID 89206754
trans-(1R,2R)-2-acetylcyclobutane-1-carboxamide
CID 45084156

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethyl-8-tricyclo[4.3.0.02,9]nonanyl)ethanone?
The IUPAC name of 1-(3,3-dimethyl-8-tricyclo[4.3.0.02,9]nonanyl)ethanone (CID 123978139) is 1-(3,3-dimethyl-8-tricyclo[4.3.0.02,9]nonanyl)ethanone.
What is the SMILES notation for 1-(3,3-dimethyl-8-tricyclo[4.3.0.02,9]nonanyl)ethanone?
The canonical SMILES for 1-(3,3-dimethyl-8-tricyclo[4.3.0.02,9]nonanyl)ethanone is CC(=O)C1CC2CCC(C)(C)C3C2C13.
What is the InChIKey of 1-(3,3-dimethyl-8-tricyclo[4.3.0.02,9]nonanyl)ethanone?
The InChIKey is VVHXBAWQFWEOQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O/c1-7(14)9-6-8-4-5-13(2,3)12-10(8)11(9)12/h8-12H,4-6H2,1-3H3.
What are the key properties of 1-(3,3-dimethyl-8-tricyclo[4.3.0.02,9]nonanyl)ethanone?
1-(3,3-dimethyl-8-tricyclo[4.3.0.02,9]nonanyl)ethanone has a molecular weight of 192.30 g/mol, XLogP of 2.89, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethyl-8-tricyclo[4.3.0.02,9]nonanyl)ethanone is sourced from PubChem (CID 123978139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).