Name: 1-ethylcyclopropan-1-ol - ≥97% , CAS No.57872-31-8
SKU: E634155
Availability: InStock

Taxonomic Classification

Taxonomy Tree

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Classe	Organooxygen compounds
Subclass	Alcohols and polyols
Intermediate Tree Nodes	Not available
Direct Parent	Tertiary alcohols
Alternative Parents	Cyclic alcohols and derivatives Hydrocarbon derivatives
Molecular Framework	Aliphatic homomonocyclic compounds
Substituents	Tertiary alcohol - Cyclopropanol - Hydrocarbon derivative - Aliphatic homomonocyclic compound
Descrição	This compound belongs to the class of organic compounds known as tertiary alcohols. These are compounds in which a hydroxy group, -OH, is attached to a saturated carbon atom R3COH (R not H ).
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

Estrutura 3D

Certificados（CoA,COO,BSE/TSE e Mapa de Análise)

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

Analytical Chart:

Propriedades químicas e físicas

Peso molecular	86.130 g/mol
XLogP3	0.800
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	86.0732 Da
Monoisotopic Mass	86.0732 Da
Topological Polar Surface Area	20.200 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	55.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

Calculadoras de soluções

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Revisões

Sorrisos canónicos	CCC1(CC1)O
IUPAC Name	1-ethylcyclopropan-1-ol
InChIKey	XZUJSRYCYMMXFZ-UHFFFAOYSA-N
INCHI	1S/C5H10O/c1-2-5(6)3-4-5/h6H,2-4H2,1H3
SMILES isoméricas	CCC1(CC1)O
CAS alternativo	57872-31-8
PubChem CID	545093
Peso molecular	86.13

1-ethylcyclopropan-1-ol - ≥97% , CAS No.57872-31-8

Specifications