1,4,4,6-tetramethyltricyclo[4.2.1.03,8]nonan-7-one

C13H20O — CID 14665473

IUPAC1,4,4,6-tetramethyltricyclo[4.2.1.03,8]nonan-7-one
SMILESCC12CC(C)(C)C3CC(C)(C1)C3C2=O
InChIInChI=1S/C13H20O/c1-11(2)6-13(4)7-12(3)5-8(11)9(12)10(13)14/h8-9H,5-7H2,1-4H3
InChIKeyZRZRCTYQQIAOGY-UHFFFAOYSA-N
MW192.30 g/mol
LogP3.04
Rot. Bonds

About 1,4,4,6-tetramethyltricyclo[4.2.1.03,8]nonan-7-one

1,4,4,6-tetramethyltricyclo[4.2.1.03,8]nonan-7-one (PubChem CID 14665473) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is 1,4,4,6-tetramethyltricyclo[4.2.1.03,8]nonan-7-one.

Molecular Properties

Compound Name1,4,4,6-tetramethyltricyclo[4.2.1.03,8]nonan-7-one
PubChem CID14665473
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name1,4,4,6-tetramethyltricyclo[4.2.1.03,8]nonan-7-one
SMILESCC12CC(C)(C)C3CC(C)(C1)C3C2=O
InChIInChI=1S/C13H20O/c1-11(2)6-13(4)7-12(3)5-8(11)9(12)10(13)14/h8-9H,5-7H2,1-4H3
InChIKeyZRZRCTYQQIAOGY-UHFFFAOYSA-N
XLogP3.04
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,4,4,6-tetramethyltricyclo[4.2.1.03,8]nonan-7-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 1,4,4,6-tetramethyltricyclo[4.2.1.03,8]nonan-7-one?
The IUPAC name of 1,4,4,6-tetramethyltricyclo[4.2.1.03,8]nonan-7-one (CID 14665473) is 1,4,4,6-tetramethyltricyclo[4.2.1.03,8]nonan-7-one.
What is the SMILES notation for 1,4,4,6-tetramethyltricyclo[4.2.1.03,8]nonan-7-one?
The canonical SMILES for 1,4,4,6-tetramethyltricyclo[4.2.1.03,8]nonan-7-one is CC12CC(C)(C)C3CC(C)(C1)C3C2=O.
What is the InChIKey of 1,4,4,6-tetramethyltricyclo[4.2.1.03,8]nonan-7-one?
The InChIKey is ZRZRCTYQQIAOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O/c1-11(2)6-13(4)7-12(3)5-8(11)9(12)10(13)14/h8-9H,5-7H2,1-4H3.
What are the key properties of 1,4,4,6-tetramethyltricyclo[4.2.1.03,8]nonan-7-one?
1,4,4,6-tetramethyltricyclo[4.2.1.03,8]nonan-7-one has a molecular weight of 192.30 g/mol, XLogP of 3.04, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,4,6-tetramethyltricyclo[4.2.1.03,8]nonan-7-one is sourced from PubChem (CID 14665473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).