Name: 3-ethylcyclohexan-1-one - ≥97% , CAS No.22461-89-8
SKU: E635797
Availability: InStock

Taxonomic Classification

Taxonomy Tree

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
분류	Organooxygen compounds
Subclass	Carbonyl compounds
Intermediate Tree Nodes	Ketones
Direct Parent	Cyclic ketones
Alternative Parents	Organic oxides Hydrocarbon derivatives
Molecular Framework	Aliphatic homomonocyclic compounds
Substituents	Cyclic ketone - Organic oxide - Hydrocarbon derivative - Aliphatic homomonocyclic compound
설명	This compound belongs to the class of organic compounds known as cyclic ketones. These are organic compounds containing a ketone that is conjugated to a cyclic moiety.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

3D 구조

인증서(CoA, COO, BSE/TSE 및 분석 차트)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

화학 및 물리적 특성

분자량	126.200 g/mol
XLogP3	1.900
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	126.104 Da
Monoisotopic Mass	126.104 Da
Topological Polar Surface Area	17.100 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	107.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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리뷰

정식 스마일	CCC1CCCC(=O)C1
IUPAC Name	3-ethylcyclohexan-1-one
InChIKey	IEVRHAUJJJBXFH-UHFFFAOYSA-N
INCHI	1S/C8H14O/c1-2-7-4-3-5-8(9)6-7/h7H,2-6H2,1H3
이성체 SMILES	CCC1CCCC(=O)C1
대체 CAS	22461-89-8
PubChem CID	228300
NSC 번호	21117
분자량	126.2

3-ethylcyclohexan-1-one - ≥97% , CAS No.22461-89-8

Specifications