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

C13H16O — CID 599679

IUPAC3,3,4,6-tetramethyl-2H-inden-1-one
SMILESCc1cc(C)c2c(c1)C(=O)CC2(C)C
InChIInChI=1S/C13H16O/c1-8-5-9(2)12-10(6-8)11(14)7-13(12,3)4/h5-6H,7H2,1-4H3
InChIKeyUPJMNGPDWQHLKW-UHFFFAOYSA-N
MW188.27 g/mol
LogP3.17
Rot. Bonds

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

3,3,4,6-tetramethyl-2H-inden-1-one (PubChem CID 599679) has the molecular formula C13H16O and a molecular weight of 188.27 g/mol. Its IUPAC name is 3,3,4,6-tetramethyl-2H-inden-1-one.

Molecular Properties

Compound Name3,3,4,6-tetramethyl-2H-inden-1-one
PubChem CID599679
Molecular FormulaC13H16O
Molecular Weight188.27 g/mol
Exact Mass188.12
IUPAC Name3,3,4,6-tetramethyl-2H-inden-1-one
SMILESCc1cc(C)c2c(c1)C(=O)CC2(C)C
InChIInChI=1S/C13H16O/c1-8-5-9(2)12-10(6-8)11(14)7-13(12,3)4/h5-6H,7H2,1-4H3
InChIKeyUPJMNGPDWQHLKW-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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Related Compounds

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Valone
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Ethanone, 1-(2,4,6-trimethylphenyl)-
CID 15461
1-Acenaphthenone
CID 75229
1-Indanone
CID 6735
7-Acetyl-6-ethyl-1,1,4,4-tetramethyltetralin
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Phantolide
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Traseolide
CID 50256

Frequently Asked Questions

What is the IUPAC name of 3,3,4,6-tetramethyl-2H-inden-1-one?
The IUPAC name of 3,3,4,6-tetramethyl-2H-inden-1-one (CID 599679) is 3,3,4,6-tetramethyl-2H-inden-1-one.
What is the SMILES notation for 3,3,4,6-tetramethyl-2H-inden-1-one?
The canonical SMILES for 3,3,4,6-tetramethyl-2H-inden-1-one is Cc1cc(C)c2c(c1)C(=O)CC2(C)C.
What is the InChIKey of 3,3,4,6-tetramethyl-2H-inden-1-one?
The InChIKey is UPJMNGPDWQHLKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O/c1-8-5-9(2)12-10(6-8)11(14)7-13(12,3)4/h5-6H,7H2,1-4H3.
What are the key properties of 3,3,4,6-tetramethyl-2H-inden-1-one?
3,3,4,6-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 3,3,4,6-tetramethyl-2H-inden-1-one is sourced from PubChem (CID 599679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).