2-(2,2-dimethylpropyl)-2-methyl-3H-inden-1-one

C15H20O — CID 141404738

IUPAC2-(2,2-dimethylpropyl)-2-methyl-3H-inden-1-one
SMILESCC(C)(C)CC1(C)Cc2ccccc2C1=O
InChIInChI=1S/C15H20O/c1-14(2,3)10-15(4)9-11-7-5-6-8-12(11)13(15)16/h5-8H,9-10H2,1-4H3
InChIKeyUSAMJTOGVJXLCU-UHFFFAOYSA-N
MW216.32 g/mol
LogP3.87
Rot. Bonds1

About 2-(2,2-dimethylpropyl)-2-methyl-3H-inden-1-one

2-(2,2-dimethylpropyl)-2-methyl-3H-inden-1-one (PubChem CID 141404738) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)-2-methyl-3H-inden-1-one.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)-2-methyl-3H-inden-1-one
PubChem CID141404738
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Name2-(2,2-dimethylpropyl)-2-methyl-3H-inden-1-one
SMILESCC(C)(C)CC1(C)Cc2ccccc2C1=O
InChIInChI=1S/C15H20O/c1-14(2,3)10-15(4)9-11-7-5-6-8-12(11)13(15)16/h5-8H,9-10H2,1-4H3
InChIKeyUSAMJTOGVJXLCU-UHFFFAOYSA-N
XLogP3.87
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-methyl-3-oxo-1H-inden-2-yl)acetonitrile
CID 122218044
2-(2-azidoethyl)-2-methyl-3H-inden-1-one
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2-(hydroxymethyl)-2-methyl-3,4-dihydronaphthalen-1-one
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2-[difluoro(iodo)methyl]-2-methyl-3H-inden-1-one
CID 46831315
(2S)-2-methyl-2-prop-2-enyl-3,4-dihydronaphthalen-1-one
CID 45096682
2-methyl-2-nitroso-3H-inden-1-one
CID 86209895
2,2-bis(trifluoromethyl)-3H-inden-1-one
CID 10015841
2,2-diethoxy-3H-inden-1-one
CID 11557601
2-[1-(dimethylamino)ethyl-methylamino]-2-methyl-3H-inden-1-one
CID 20679411
2-fluoro-2-(2-methylpropyl)-3H-inden-1-one
CID 59717541
tert-butyl (2S)-2-hydroxy-3-oxo-1H-indene-2-carboxylate
CID 15965724
ethyl 6-(2-methyl-3-oxo-1H-inden-2-yl)hex-2-ynoate
CID 102588969

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropyl)-2-methyl-3H-inden-1-one?
The IUPAC name of 2-(2,2-dimethylpropyl)-2-methyl-3H-inden-1-one (CID 141404738) is 2-(2,2-dimethylpropyl)-2-methyl-3H-inden-1-one.
What is the SMILES notation for 2-(2,2-dimethylpropyl)-2-methyl-3H-inden-1-one?
The canonical SMILES for 2-(2,2-dimethylpropyl)-2-methyl-3H-inden-1-one is CC(C)(C)CC1(C)Cc2ccccc2C1=O.
What is the InChIKey of 2-(2,2-dimethylpropyl)-2-methyl-3H-inden-1-one?
The InChIKey is USAMJTOGVJXLCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O/c1-14(2,3)10-15(4)9-11-7-5-6-8-12(11)13(15)16/h5-8H,9-10H2,1-4H3.
What are the key properties of 2-(2,2-dimethylpropyl)-2-methyl-3H-inden-1-one?
2-(2,2-dimethylpropyl)-2-methyl-3H-inden-1-one has a molecular weight of 216.32 g/mol, XLogP of 3.87, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)-2-methyl-3H-inden-1-one is sourced from PubChem (CID 141404738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).