CAS 1660-04-4 | 1-Acetyladamantane | CAS Number 1660-04-4

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1660-04-4 | 1-Acetyladamantane

CAS No: 1660-04-4 Catalog No: AG003DX4 MDL No:MFCD00074739

Product Description

Catalog Number:

AG003DX4

Chemical Name:

1-Acetyladamantane

CAS Number:

1660-04-4

Molecular Formula:

C12H18O

Molecular Weight:

178.2707

MDL Number:

MFCD00074739

IUPAC Name:

1-(1-adamantyl)ethanone

InChI:

InChI=1S/C12H18O/c1-8(13)12-5-9-2-10(6-12)4-11(3-9)7-12/h9-11H,2-7H2,1H3

InChI Key:

DACIGVIOAFXPHW-UHFFFAOYSA-N

SMILES:

CC(=O)C12CC3CC(C2)CC(C1)C3

EC Number:

216-761-9

Properties

Complexity:

213

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

178.136g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

178.275g/mol

Monoisotopic Mass:

178.136g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

17.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.5

Literature

Title	Journal
Discovery of adamantyl heterocyclic ketones as potent 11β-hydroxysteroid dehydrogenase type 1 inhibitors.	ChemMedChem 20110801
Stereoselective ketone reduction by a carbonyl reductase from Sporobolomyces salmonicolor. Substrate specificity, enantioselectivity and enzyme-substrate docking studies.	Organic & biomolecular chemistry 20060721
New 2-(1-adamantylcarbonyl)pyridine and 1-acetyladamantane thiosemicarbazones-thiocarbonohydrazones: cell growth inhibitory, antiviral and antimicrobial activity evaluation.	Bioorganic & medicinal chemistry letters 20020311