2,2,3-trimethyltricyclo[3.2.1.03,6]octan-4-one

C11H16O — CID 130037552

IUPAC2,2,3-trimethyltricyclo[3.2.1.03,6]octan-4-one
SMILESCC1(C)C2CC3C(=O)C1(C)C3C2
InChIInChI=1S/C11H16O/c1-10(2)6-4-7-8(5-6)11(10,3)9(7)12/h6-8H,4-5H2,1-3H3
InChIKeySZMWIROOKQNQON-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.26
Rot. Bonds

About 2,2,3-trimethyltricyclo[3.2.1.03,6]octan-4-one

2,2,3-trimethyltricyclo[3.2.1.03,6]octan-4-one (PubChem CID 130037552) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is 2,2,3-trimethyltricyclo[3.2.1.03,6]octan-4-one.

Molecular Properties

Compound Name2,2,3-trimethyltricyclo[3.2.1.03,6]octan-4-one
PubChem CID130037552
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name2,2,3-trimethyltricyclo[3.2.1.03,6]octan-4-one
SMILESCC1(C)C2CC3C(=O)C1(C)C3C2
InChIInChI=1S/C11H16O/c1-10(2)6-4-7-8(5-6)11(10,3)9(7)12/h6-8H,4-5H2,1-3H3
InChIKeySZMWIROOKQNQON-UHFFFAOYSA-N
XLogP2.26
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,2,3-trimethyltricyclo[3.2.1.03,6]octan-4-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2,3-trimethyltricyclo[3.2.1.03,6]octan-4-one?
The IUPAC name of 2,2,3-trimethyltricyclo[3.2.1.03,6]octan-4-one (CID 130037552) is 2,2,3-trimethyltricyclo[3.2.1.03,6]octan-4-one.
What is the SMILES notation for 2,2,3-trimethyltricyclo[3.2.1.03,6]octan-4-one?
The canonical SMILES for 2,2,3-trimethyltricyclo[3.2.1.03,6]octan-4-one is CC1(C)C2CC3C(=O)C1(C)C3C2.
What is the InChIKey of 2,2,3-trimethyltricyclo[3.2.1.03,6]octan-4-one?
The InChIKey is SZMWIROOKQNQON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O/c1-10(2)6-4-7-8(5-6)11(10,3)9(7)12/h6-8H,4-5H2,1-3H3.
What are the key properties of 2,2,3-trimethyltricyclo[3.2.1.03,6]octan-4-one?
2,2,3-trimethyltricyclo[3.2.1.03,6]octan-4-one has a molecular weight of 164.25 g/mol, XLogP of 2.26, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethyltricyclo[3.2.1.03,6]octan-4-one is sourced from PubChem (CID 130037552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).