3,3-dimethyltricyclo[5.2.1.02,6]decan-10-one

C12H18O — CID 57356409

IUPAC3,3-dimethyltricyclo[5.2.1.02,6]decan-10-one
SMILESCC1(C)CCC2C3CCC(C3=O)C21
InChIInChI=1S/C12H18O/c1-12(2)6-5-7-8-3-4-9(10(7)12)11(8)13/h7-10H,3-6H2,1-2H3
InChIKeyLNWDRCSSJVYJLA-UHFFFAOYSA-N
MW178.27 g/mol
LogP2.65
Rot. Bonds

About 3,3-dimethyltricyclo[5.2.1.02,6]decan-10-one

3,3-dimethyltricyclo[5.2.1.02,6]decan-10-one (PubChem CID 57356409) has the molecular formula C12H18O and a molecular weight of 178.27 g/mol. Its IUPAC name is 3,3-dimethyltricyclo[5.2.1.02,6]decan-10-one.

Molecular Properties

Compound Name3,3-dimethyltricyclo[5.2.1.02,6]decan-10-one
PubChem CID57356409
Molecular FormulaC12H18O
Molecular Weight178.27 g/mol
Exact Mass178.14
IUPAC Name3,3-dimethyltricyclo[5.2.1.02,6]decan-10-one
SMILESCC1(C)CCC2C3CCC(C3=O)C21
InChIInChI=1S/C12H18O/c1-12(2)6-5-7-8-3-4-9(10(7)12)11(8)13/h7-10H,3-6H2,1-2H3
InChIKeyLNWDRCSSJVYJLA-UHFFFAOYSA-N
XLogP2.65
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.27
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3,3-dimethyltricyclo[5.2.1.02,6]decan-10-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

tetracyclo[6.2.1.02,4.05,7]undecan-11-one
CID 130036613
4-tert-butyl-5,5-dimethyl-4a,6,7,7a-tetrahydro-4H-cyclopenta[c]pyridine-1,3-dione
CID 123805396
(1R,2R,6R,7R,9S)-6-hydroxy-3,3,7-trimethyltricyclo[5.4.0.02,9]undecan-8-one
CID 71524146
(1R,4R,6S,9R)-tetracyclo[7.2.1.04,11.06,10]dodecane-5,12-dione
CID 97047562
(1S,4S,6R,9S)-tetracyclo[7.2.1.04,11.06,10]dodecane-5,12-dione
CID 124527531
(1R,4S,6S)-4,12,12-trimethyltricyclo[8.2.0.04,6]dodecan-9-one
CID 90336150
(1S,3S,6S,8S)-6,10,10-trimethyltricyclo[6.3.0.03,6]undecan-2-one
CID 11344778
3-(2,4,4-trimethylcyclohexyl)pyrrolidine-2,5-dione
CID 81314602
(1S,3R,6S,8S)-tricyclo[4.2.1.03,8]nonan-2-one
CID 139323023
2,3,3a,4a,5,6,7,8,8a,8b-decahydro-1H-cyclopenta[a]inden-4-one
CID 154595410
(1S,3S,6R)-3,7,7-trimethylbicyclo[4.2.0]octan-2-one
CID 131057170
(3aR,3bR,6aR,7R,7aR)-4,4,7-trimethyl-3-methylidene-2,3a,3b,5,6,6a,7,7a-octahydro-1H-cyclopenta[a]pentalene
CID 12047285

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyltricyclo[5.2.1.02,6]decan-10-one?
The IUPAC name of 3,3-dimethyltricyclo[5.2.1.02,6]decan-10-one (CID 57356409) is 3,3-dimethyltricyclo[5.2.1.02,6]decan-10-one.
What is the SMILES notation for 3,3-dimethyltricyclo[5.2.1.02,6]decan-10-one?
The canonical SMILES for 3,3-dimethyltricyclo[5.2.1.02,6]decan-10-one is CC1(C)CCC2C3CCC(C3=O)C21.
What is the InChIKey of 3,3-dimethyltricyclo[5.2.1.02,6]decan-10-one?
The InChIKey is LNWDRCSSJVYJLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O/c1-12(2)6-5-7-8-3-4-9(10(7)12)11(8)13/h7-10H,3-6H2,1-2H3.
What are the key properties of 3,3-dimethyltricyclo[5.2.1.02,6]decan-10-one?
3,3-dimethyltricyclo[5.2.1.02,6]decan-10-one has a molecular weight of 178.27 g/mol, XLogP of 2.65, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyltricyclo[5.2.1.02,6]decan-10-one is sourced from PubChem (CID 57356409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).