3,3-Dimethyl-1-indanone

C₁₁H₁₂OCAS 26465-81-6160.22 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₁H₁₂O
Molar mass: 160.22 g/mol
Exact mass: 160.0888 Da
logP: 2.55Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

26465-81-6

SMILES

CC1(CC(=O)C2=CC=CC=C21)C

InChIKey

QWZAOSKLFKAEOK-UHFFFAOYSA-N

InChI

InChI=1S/C11H12O/c1-11(2)7-10(12)8-5-3-4-6-9(8)11/h3-6H,7H2,1-2H3

Weigh it out

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Work with 3,3-Dimethyl-1-indanone

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-(Trifluoromethyl)propiophenone16185-96-947 % similar 10,10-Dimethyl-9(10H)-anthracenone5447-86-945 % similar 1,3-Indandione606-23-545 % similar 1,1,4,4-Tetramethyl-1,2,3,4-tetrahydronaphthalene6683-46-145 % similar 3,3-Dimethyl-1,5-diphenylpentane-1,5-dione42052-44-844 % similar 2-(Trifluoromethyl)phenacyl bromide54109-16-943 % similar Methyl β-oxo-2-(trifluoromethyl)benzenepropanoate212755-77-640 % similar 2-Methyl-1,4-naphthoquinone sodium bisulfite130-37-040 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-Methyl-1-tetralone1590-08-5 3-Methyl-4-phenyl-3-buten-2-one1901-26-4 4-Methyl-1-tetralone19832-98-5 7-Methyl-1-tetralone22009-37-6 5,6,8,9-Tetrahydro-7H-benzo(7)annulen-7-one37949-03-4 3,4-Dihydro-1-methyl-2(1H)-naphthalenone4024-14-0 Cyclobutyl phenyl ketone5407-98-7 Benzosuberone826-73-3

Elsewhere

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