3,3,4,5,6,7-hexamethyl-2H-inden-1-one

C15H20O — CID 22946125

IUPAC3,3,4,5,6,7-hexamethyl-2H-inden-1-one
SMILESCc1c(C)c(C)c2c(c1C)C(=O)CC2(C)C
InChIInChI=1S/C15H20O/c1-8-9(2)11(4)14-13(10(8)3)12(16)7-15(14,5)6/h7H2,1-6H3
InChIKeyPJYCHPFLCCMETD-UHFFFAOYSA-N
MW216.32 g/mol
LogP3.78
Rot. Bonds

About 3,3,4,5,6,7-hexamethyl-2H-inden-1-one

3,3,4,5,6,7-hexamethyl-2H-inden-1-one (PubChem CID 22946125) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is 3,3,4,5,6,7-hexamethyl-2H-inden-1-one.

Molecular Properties

Compound Name3,3,4,5,6,7-hexamethyl-2H-inden-1-one
PubChem CID22946125
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Name3,3,4,5,6,7-hexamethyl-2H-inden-1-one
SMILESCc1c(C)c(C)c2c(c1C)C(=O)CC2(C)C
InChIInChI=1S/C15H20O/c1-8-9(2)11(4)14-13(10(8)3)12(16)7-15(14,5)6/h7H2,1-6H3
InChIKeyPJYCHPFLCCMETD-UHFFFAOYSA-N
XLogP3.78
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3,3,4,5,6,7-hexamethyl-2H-inden-1-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 3,3,4,5,6,7-hexamethyl-2H-inden-1-one?
The IUPAC name of 3,3,4,5,6,7-hexamethyl-2H-inden-1-one (CID 22946125) is 3,3,4,5,6,7-hexamethyl-2H-inden-1-one.
What is the SMILES notation for 3,3,4,5,6,7-hexamethyl-2H-inden-1-one?
The canonical SMILES for 3,3,4,5,6,7-hexamethyl-2H-inden-1-one is Cc1c(C)c(C)c2c(c1C)C(=O)CC2(C)C.
What is the InChIKey of 3,3,4,5,6,7-hexamethyl-2H-inden-1-one?
The InChIKey is PJYCHPFLCCMETD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O/c1-8-9(2)11(4)14-13(10(8)3)12(16)7-15(14,5)6/h7H2,1-6H3.
What are the key properties of 3,3,4,5,6,7-hexamethyl-2H-inden-1-one?
3,3,4,5,6,7-hexamethyl-2H-inden-1-one has a molecular weight of 216.32 g/mol, XLogP of 3.78, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,5,6,7-hexamethyl-2H-inden-1-one is sourced from PubChem (CID 22946125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).