3,3,5,5-tetramethyl-6,7-dihydro-2H-s-indacen-1-one

C16H20O — CID 165353647

IUPAC3,3,5,5-tetramethyl-6,7-dihydro-2H-s-indacen-1-one
SMILESCC1(C)CCc2cc3c(cc21)C(C)(C)CC3=O
InChIInChI=1S/C16H20O/c1-15(2)6-5-10-7-11-13(8-12(10)15)16(3,4)9-14(11)17/h7-8H,5-6,9H2,1-4H3
InChIKeySJQMEMDAKCRMGG-UHFFFAOYSA-N
MW228.33 g/mol
LogP3.77
Rot. Bonds

About 3,3,5,5-tetramethyl-6,7-dihydro-2H-s-indacen-1-one

3,3,5,5-tetramethyl-6,7-dihydro-2H-s-indacen-1-one (PubChem CID 165353647) has the molecular formula C16H20O and a molecular weight of 228.33 g/mol. Its IUPAC name is 3,3,5,5-tetramethyl-6,7-dihydro-2H-s-indacen-1-one.

Molecular Properties

Compound Name3,3,5,5-tetramethyl-6,7-dihydro-2H-s-indacen-1-one
PubChem CID165353647
Molecular FormulaC16H20O
Molecular Weight228.33 g/mol
Exact Mass228.15
IUPAC Name3,3,5,5-tetramethyl-6,7-dihydro-2H-s-indacen-1-one
SMILESCC1(C)CCc2cc3c(cc21)C(C)(C)CC3=O
InChIInChI=1S/C16H20O/c1-15(2)6-5-10-7-11-13(8-12(10)15)16(3,4)9-14(11)17/h7-8H,5-6,9H2,1-4H3
InChIKeySJQMEMDAKCRMGG-UHFFFAOYSA-N
XLogP3.77
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 6732
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Ethanone, 1-(2,4,6-trimethylphenyl)-
CID 15461
7-Acetyl-6-ethyl-1,1,4,4-tetramethyltetralin
CID 6930
Phantolide
CID 47167
Traseolide
CID 50256
2,3-Dihydro-2,6-dimethyl-1H-inden-1-one
CID 11593477
Ethanone, 1-[2,3-dihydro-1,1,2,6-tetramethyl-3-(1-methylethyl)-1H-inden-5-yl]-
CID 91696
Methanone, 9H-fluoren-2-ylphenyl-
CID 97070

Frequently Asked Questions

What is the IUPAC name of 3,3,5,5-tetramethyl-6,7-dihydro-2H-s-indacen-1-one?
The IUPAC name of 3,3,5,5-tetramethyl-6,7-dihydro-2H-s-indacen-1-one (CID 165353647) is 3,3,5,5-tetramethyl-6,7-dihydro-2H-s-indacen-1-one.
What is the SMILES notation for 3,3,5,5-tetramethyl-6,7-dihydro-2H-s-indacen-1-one?
The canonical SMILES for 3,3,5,5-tetramethyl-6,7-dihydro-2H-s-indacen-1-one is CC1(C)CCc2cc3c(cc21)C(C)(C)CC3=O.
What is the InChIKey of 3,3,5,5-tetramethyl-6,7-dihydro-2H-s-indacen-1-one?
The InChIKey is SJQMEMDAKCRMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O/c1-15(2)6-5-10-7-11-13(8-12(10)15)16(3,4)9-14(11)17/h7-8H,5-6,9H2,1-4H3.
What are the key properties of 3,3,5,5-tetramethyl-6,7-dihydro-2H-s-indacen-1-one?
3,3,5,5-tetramethyl-6,7-dihydro-2H-s-indacen-1-one has a molecular weight of 228.33 g/mol, XLogP of 3.77, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5,5-tetramethyl-6,7-dihydro-2H-s-indacen-1-one is sourced from PubChem (CID 165353647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).