3,3,5,6-tetramethyl-2H-inden-1-one

C13H16O — CID 599689

IUPAC3,3,5,6-tetramethyl-2H-inden-1-one
SMILESCc1cc2c(cc1C)C(C)(C)CC2=O
InChIInChI=1S/C13H16O/c1-8-5-10-11(6-9(8)2)13(3,4)7-12(10)14/h5-6H,7H2,1-4H3
InChIKeyBXABKFVJTUQBMS-UHFFFAOYSA-N
MW188.27 g/mol
LogP3.17
Rot. Bonds

About 3,3,5,6-tetramethyl-2H-inden-1-one

3,3,5,6-tetramethyl-2H-inden-1-one (PubChem CID 599689) has the molecular formula C13H16O and a molecular weight of 188.27 g/mol. Its IUPAC name is 3,3,5,6-tetramethyl-2H-inden-1-one.

Molecular Properties

Compound Name3,3,5,6-tetramethyl-2H-inden-1-one
PubChem CID599689
Molecular FormulaC13H16O
Molecular Weight188.27 g/mol
Exact Mass188.12
IUPAC Name3,3,5,6-tetramethyl-2H-inden-1-one
SMILESCc1cc2c(cc1C)C(C)(C)CC2=O
InChIInChI=1S/C13H16O/c1-8-5-10-11(6-9(8)2)13(3,4)7-12(10)14/h5-6H,7H2,1-4H3
InChIKeyBXABKFVJTUQBMS-UHFFFAOYSA-N
XLogP3.17
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 ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3,5,6-tetramethyl-2H-inden-1-one?
The IUPAC name of 3,3,5,6-tetramethyl-2H-inden-1-one (CID 599689) is 3,3,5,6-tetramethyl-2H-inden-1-one.
What is the SMILES notation for 3,3,5,6-tetramethyl-2H-inden-1-one?
The canonical SMILES for 3,3,5,6-tetramethyl-2H-inden-1-one is Cc1cc2c(cc1C)C(C)(C)CC2=O.
What is the InChIKey of 3,3,5,6-tetramethyl-2H-inden-1-one?
The InChIKey is BXABKFVJTUQBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O/c1-8-5-10-11(6-9(8)2)13(3,4)7-12(10)14/h5-6H,7H2,1-4H3.
What are the key properties of 3,3,5,6-tetramethyl-2H-inden-1-one?
3,3,5,6-tetramethyl-2H-inden-1-one has a molecular weight of 188.27 g/mol, XLogP of 3.17, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5,6-tetramethyl-2H-inden-1-one is sourced from PubChem (CID 599689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).