5-(1,1-dimethylethyl)-2,3-dihydro-3,3-dimethyl-1H-inden-1-one

5-(1,1-dimethylethyl)-2,3-dihydro-3,3-dimethyl-1H-inden-1-one
Compound Structure:
Synonyms: 5-tert-Butyl-3,3-dimethyl-1-indanone;1H-Inden-1-one, 5-(1,1-dimethylethyl)-2,3-dihydro-3,3-dimethyl-;38393-93-0;3,3-dimethyl-5-t-butylindone;3,3-Dimethyl-5-tert-butyl-1-indanone;5-tert-Butyl-3,3-dimethyl-indan-1-one;5-tert-Butyl-3,3-dimethyl-1-indanone
Compound ID: NMPC-433
PubChem ID:

608582
Molecular Formula: C15H20O
Canonical SMILES: CC1(CC(=O)C2=C1C=C(C=C2)C(C)(C)C)C
InChIKey: UAYMLJQAJQASDB-UHFFFAOYSA-N
About the compound:
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

298.3 g/mol

XLogP3-AA

3.2

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

4

Rotatable Bond Count

3

Exact Mass

298.12050905 g/mol

Monoisotopic Mass

298.12050905 g/mol

Topological Polar Surface Area

44.8Ų

Heavy Atom Count

22

Formal Charge

0

Complexity

391

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

1

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Physical Description

Solid

Meting Point

133 - 135 °C

Source: PubChem                                                         
Source Species: Ageratum conyzoides
Synedrella nodiflora
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