5,5-dimetil-2-pentil-1,3-dioxano

: IUPAC Nombre：5,5-dimethyl-2-pentyl-1,3-dioxane; CAS Registry Number: 13273-89-7; Peso molecular：186.295

1. Nombres y Identificadores

: 1.1 Nombre del producto; 5,5-dimetil-2-pentil-1,3-dioxano; 1.2 Sinónimos; 5,5-dimetil-2-pentil-1,3-dioxano

1.6 Inchi: InChI=1S/C11H22O2/c1-4-5-6-7-10-12-8-11(2,3)9-13-10/h10H,4-9H2,1-3H3

2. Propiedades

3. MSDS

no data available

no data available

4. Datos químicos computacionales

Peso molecular: 186.295g/mol
Fórmula molecular: C₁₁H₂₂O₂
Compound Is Canonicalized: True
XLogP3-AA: 3.4
Exact Mass: 186.161979940
Monoisotopic Mass: 186.161979940
Complexity: 133
Rotatable Bond Count: 4
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 2
Topological Polar Surface Area: 18.5
Heavy Atom Count: 13
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Isotope Atom Count: 0
Covalently-Bonded Unit Count: 1
CACTVS Substructure Key Fingerprint: AAADceBwMAAAAAAAAAAAAAAAAAAAAAAAAAAkAAAAAAAAAAAAAAAAGgAAAAAADgCwgAMCCAAABAAAAAAAAAAAAAAAAAAAAAAAAAAQAAIAAAAiAAAFAAAEAAGAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

6. información real del producto

5663-29-6 2-pentyl-1,3-dioxane

13273-84-2 2,5,5-trimethyl-2-pentyl-1,3-dioxane

74240-66-7 TRANS-4-(5-PENTYL-1,3-DIOXAN-2-YL)BENZONITRILE

74800-62-7 TRANS-4-(5-PENTYL-1,3-DIOXAN-2-YL)BENZONITRILE

25136-55-4 1,4-Dioxane, dimethyl-

766-20-1 2,4-DIMETHYL-1,3-DIOXANE

872-98-0 5,5-DIMETHYL-1,3-DIOXANE

Última actualización : 2055944-48-2 2962823-66-9 2922371-01-3 1900697-03-1 2831410-90-1 859971-29-2 2826398-21-2 2672572-19-7 723260-09-1 2785323-68-2

Directorio

1. Nombres y Identificadores

: 1.1 Nombre del producto; 1.2 Sinónimos; 1.3 CAS Registry Number; 1.4 CID; 1.5 Fórmula molecular; 1.6 Inchi; 1.7 InchiKey; 1.8 Canónico SMILES; 1.9 Isómero SMILES

2. Propiedades

: 2.1 Densidad; 2.2 Punto de Hierro; 2.3 Índice refractivo; 2.4 Punto de Flash; 2.5 PSA; 2.6 logP