3,3-dimethyl-4,6-di(propan-2-yl)-2H-inden-1-one

C17H24O — CID 79838310

IUPAC3,3-dimethyl-4,6-di(propan-2-yl)-2H-inden-1-one
SMILESCC(C)c1cc2c(c(C(C)C)c1)C(C)(C)CC2=O
InChIInChI=1S/C17H24O/c1-10(2)12-7-13(11(3)4)16-14(8-12)15(18)9-17(16,5)6/h7-8,10-11H,9H2,1-6H3
InChIKeyQTLSZWJLCUGYTR-UHFFFAOYSA-N
MW244.38 g/mol
LogP4.80
Rot. Bonds2

About 3,3-dimethyl-4,6-di(propan-2-yl)-2H-inden-1-one

3,3-dimethyl-4,6-di(propan-2-yl)-2H-inden-1-one (PubChem CID 79838310) has the molecular formula C17H24O and a molecular weight of 244.38 g/mol. Its IUPAC name is 3,3-dimethyl-4,6-di(propan-2-yl)-2H-inden-1-one.

Molecular Properties

Compound Name3,3-dimethyl-4,6-di(propan-2-yl)-2H-inden-1-one
PubChem CID79838310
Molecular FormulaC17H24O
Molecular Weight244.38 g/mol
Exact Mass244.18
IUPAC Name3,3-dimethyl-4,6-di(propan-2-yl)-2H-inden-1-one
SMILESCC(C)c1cc2c(c(C(C)C)c1)C(C)(C)CC2=O
InChIInChI=1S/C17H24O/c1-10(2)12-7-13(11(3)4)16-14(8-12)15(18)9-17(16,5)6/h7-8,10-11H,9H2,1-6H3
InChIKeyQTLSZWJLCUGYTR-UHFFFAOYSA-N
XLogP4.80
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3,3-dimethyl-4,6-di(propan-2-yl)-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-dimethyl-4,6-di(propan-2-yl)-2H-inden-1-one?
The IUPAC name of 3,3-dimethyl-4,6-di(propan-2-yl)-2H-inden-1-one (CID 79838310) is 3,3-dimethyl-4,6-di(propan-2-yl)-2H-inden-1-one.
What is the SMILES notation for 3,3-dimethyl-4,6-di(propan-2-yl)-2H-inden-1-one?
The canonical SMILES for 3,3-dimethyl-4,6-di(propan-2-yl)-2H-inden-1-one is CC(C)c1cc2c(c(C(C)C)c1)C(C)(C)CC2=O.
What is the InChIKey of 3,3-dimethyl-4,6-di(propan-2-yl)-2H-inden-1-one?
The InChIKey is QTLSZWJLCUGYTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O/c1-10(2)12-7-13(11(3)4)16-14(8-12)15(18)9-17(16,5)6/h7-8,10-11H,9H2,1-6H3.
What are the key properties of 3,3-dimethyl-4,6-di(propan-2-yl)-2H-inden-1-one?
3,3-dimethyl-4,6-di(propan-2-yl)-2H-inden-1-one has a molecular weight of 244.38 g/mol, XLogP of 4.80, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4,6-di(propan-2-yl)-2H-inden-1-one is sourced from PubChem (CID 79838310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).