CAS 100182-82-9 | Cyclohexanone, (1,1-dimethylethyl)- | CAS Number 100182-82-9

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100182-82-9 | Cyclohexanone, (1,1-dimethylethyl)-

CAS No: 100182-82-9 Catalog No: AG000164 MDL No:

Product Description

Catalog Number:

AG000164

Chemical Name:

Cyclohexanone, (1,1-dimethylethyl)-

CAS Number:

100182-82-9

Molecular Formula:

C10H18O

Molecular Weight:

154.2493

IUPAC Name:

2-tert-butylcyclohexan-1-one

InChI:

InChI=1S/C10H18O/c1-10(2,3)8-6-4-5-7-9(8)11/h8H,4-7H2,1-3H3

InChI Key:

ZRYDPLOWJSFQAE-UHFFFAOYSA-N

SMILES:

O=C1CCCCC1C(C)(C)C

EC Number:

217-043-8

Properties

Complexity:

153

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

154.136g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

154.253g/mol

Monoisotopic Mass:

154.136g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

17.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.7

Literature

Title	Journal
Nickel supported carbon nanofibers as an active and selective catalyst for the gas-phase hydrogenation of 2-tert-butylphenol.	Journal of colloid and interface science 20120815
Asymmetric solid-phase alkylation of ketones immobilized via SAMP hydrazone analogue linkers.	Journal of combinatorial chemistry 20080101
Biologically active contaminants of intravenous saline in PVC packaging: Australasian, European, and North American samples.	Anaesthesia and intensive care 20050201