5-(tert-Butyl)-1-indanone - CAS 4600-86-6

Name: 5-(tert-Butyl)-1-indanone
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB026056
Product Name:	5-(tert-Butyl)-1-indanone
CAS:	4600-86-6
Synonyms:	5-tert-butyl-2,3-dihydroinden-1-one; 5-tert-butyl-2,3-dihydroinden-1-one

Technical Data

Patents

Computed Properties

IUPAC Name:	5-tert-butyl-2,3-dihydroinden-1-one
Description:	5-(tert-Butyl)-1-indanone (CAS# 4600-86-6 ) is a useful research chemical.
Molecular Weight:	188.27
Molecular Formula:	C13H16O
Canonical SMILES:	CC(C)(C)C1=CC2=C(C=C1)C(=O)CC2
InChI:	InChI=1S/C13H16O/c1-13(2,3)10-5-6-11-9(8-10)4-7-12(11)14/h5-6,8H,4,7H2,1-3H3
InChI Key:	IIJPVOVAVTZFRH-UHFFFAOYSA-N
Boiling Point:	280.721 °C at 760 mmHg
Density:	1.036 g/cm³
LogP:	3.11300

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]C15H22O5S.Na
Sulfophenyl nonanoate sodium salt
[5650-34-0]C9H8O2
Oxiran-2-yl(phenyl)methanone
[1427004-19-0]C34H39N3O10
DBCO-PEG4-NHS ester
[17746-05-3]C11H21ClO
Undecanoyl chloride
[959574-98-2]C11H10N2O2
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[956439-56-8]C6H5N3O6
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid

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Complexity:	236
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	188.12011513
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	188.12011513
Rotatable Bond Count:	1
Topological Polar Surface Area:	17.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.3