2,2,4,6-tetramethyl-3H-inden-1-one

C13H16O — CID 23227009

IUPAC2,2,4,6-tetramethyl-3H-inden-1-one
SMILESCc1cc(C)c2c(c1)C(=O)C(C)(C)C2
InChIInChI=1S/C13H16O/c1-8-5-9(2)11-7-13(3,4)12(14)10(11)6-8/h5-6H,7H2,1-4H3
InChIKeyZIIBSCVYASJTHF-UHFFFAOYSA-N
MW188.27 g/mol
LogP3.07
Rot. Bonds

About 2,2,4,6-tetramethyl-3H-inden-1-one

2,2,4,6-tetramethyl-3H-inden-1-one (PubChem CID 23227009) has the molecular formula C13H16O and a molecular weight of 188.27 g/mol. Its IUPAC name is 2,2,4,6-tetramethyl-3H-inden-1-one.

Molecular Properties

Compound Name2,2,4,6-tetramethyl-3H-inden-1-one
PubChem CID23227009
Molecular FormulaC13H16O
Molecular Weight188.27 g/mol
Exact Mass188.12
IUPAC Name2,2,4,6-tetramethyl-3H-inden-1-one
SMILESCc1cc(C)c2c(c1)C(=O)C(C)(C)C2
InChIInChI=1S/C13H16O/c1-8-5-9(2)11-7-13(3,4)12(14)10(11)6-8/h5-6H,7H2,1-4H3
InChIKeyZIIBSCVYASJTHF-UHFFFAOYSA-N
XLogP3.07
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,4,6-tetramethyl-3H-inden-1-one?
The IUPAC name of 2,2,4,6-tetramethyl-3H-inden-1-one (CID 23227009) is 2,2,4,6-tetramethyl-3H-inden-1-one.
What is the SMILES notation for 2,2,4,6-tetramethyl-3H-inden-1-one?
The canonical SMILES for 2,2,4,6-tetramethyl-3H-inden-1-one is Cc1cc(C)c2c(c1)C(=O)C(C)(C)C2.
What is the InChIKey of 2,2,4,6-tetramethyl-3H-inden-1-one?
The InChIKey is ZIIBSCVYASJTHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O/c1-8-5-9(2)11-7-13(3,4)12(14)10(11)6-8/h5-6H,7H2,1-4H3.
What are the key properties of 2,2,4,6-tetramethyl-3H-inden-1-one?
2,2,4,6-tetramethyl-3H-inden-1-one has a molecular weight of 188.27 g/mol, XLogP of 3.07, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,6-tetramethyl-3H-inden-1-one is sourced from PubChem (CID 23227009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).