CYCLOHEPTANONE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C7H12O
Molecular Weight	112.1696
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

O=C1CCCCCC1

InChI

InChIKey=CGZZMOTZOONQIA-UHFFFAOYSA-N

InChI=1S/C7H12O/c8-7-5-3-1-2-4-6-7/h1-6H2

HIDE SMILES / InChI

Molecular Formula	C7H12O
Molecular Weight	112.1696
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

PubMed

Title	Date	PubMed
The T(1) (3)(pi-pi*)/S(0) intersections and triplet lifetimes of cyclic alpha,beta-enones.	2001 Dec 28	11749611
In vitro co-metabolism of ethanol and cyclic ketones.	2002 Aug 15	12135624
Enantioselective deprotonation of meso-cycloheptanone derivative: application to the synthesis of a potential intermediate for pseudomonic acid B.	2002 Dec 12	12465939
Highly efficient antibody-catalyzed deuteration of carbonyl compounds.	2002 Jan 4	11822454
Stereoselective synthesis of cycloheptanone derivatives via an intermolecular [5 + 2] cycloaddition reaction.	2002 Jun 27	12074671
Stereoselective construction of eight-membered carbocycles by brook rearrangement-mediated [3 + 4] annulation.	2002 Mar 21	11893214
The formation of bicyclo[n.2.0]alkan-1-ols from the reaction of the lithium enolates of simple ketones and phenyl vinyl sulfoxide.	2003 Apr 21	12929665
4-oxa-1-azabicyclo[3.2.0]heptan-7-one derivatives as anti-tumor agents.	2003 Nov	14529451
The development of a facile tandem Wolff/Cope rearrangement for the synthesis of fused carbocyclic skeletons.	2003 Nov 12	14599176
Synthesis of curcumin analogues as potential antioxidant, cancer chemopreventive agents.	2004 Jan	14760627
Regioselective samarium diiodide induced couplings of carbonyl compounds with 1,3-diphenylallene and alkoxyallenes: a new route to 4-hydroxy-1-enol ethers.	2004 Oct 25	15372682
Synthesis and fungicidal activity of novel 2-oxocycloalkylsulfonylureas.	2005 Mar 23	15769157
Effect of cation absorption on ionization/dissociation of cycloketone molecules in a femtosecond laser field.	2007 Sep 27	17711268
N-Cyclo-heptyl-idene-N'-(2,4-dinitro-phenyl)hydrazine.	2009 Jan 23	21581978
Asymmetric synthesis of seven-membered carbocyclic rings via a sequential oxyanionic 5-exo-dig cyclization/claisen rearrangement process. Total synthesis of (-)-frondosin B.	2009 Jun 18	19514798

Patents

Substance Class	Chemical Created by `admin` on `Sat Dec 16 04:17:30 UTC 2023` Edited by `admin` on `Sat Dec 16 04:17:30 UTC 2023`
Record UNII	QH80295937
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CYCLOHEPTANONE

Systematic Name

English

SUBERONE

Common Name

English

CYCLOHEPTANONE [MI]

Common Name

English

KETOCYCLOHEPTANE

Systematic Name

English

KETOHEPTAMETHYLENE

Common Name

English

SUBERON

Common Name

English

NSC-9471

Code

English

Code System Code Type Description

ECHA (EC/EINECS)

207-937-6