Basic information
- Name:
Estr-5(10)-en-17-one,3,3-dimethoxy-7-methyl-, (7a)-
- Superlist Name:
- 7alpha-Methyl-3,3-dimethoxy-5(10)-estrene-17-one
- CAS No.:
88247-84-1
- Molecular Structure:
- Formula:
- C21H32O3
- Molecular Weight:
- 332.48
- Synonyms:
- (7alpha)-3,3-Dimethoxy-7-methyl-estr-5(10)-en-17-one;
- Density:
- 1.09 g/cm3
- Boiling Point:
- 429.5 °C at 760 mmHg
- Flash Point:
- 205.4 °C
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Specification
The cas register number of 7alpha-Methyl-3,3-dimethoxy-5(10)-estrene-17-one is 88247-84-1. It also can be called as (7alpha)-3,3-Dimethoxy-7-methyl-estr-5(10)-en-17-one and the Systematic name about this chemical is (7alpha)-3,3-dimethoxy-7-methylestr-5(10)-en-17-one.
Physical properties about 7alpha-Methyl-3,3-dimethoxy-5(10)-estrene-17-one are: (1)ACD/LogP: 3.73; (2)ACD/LogD (pH 5.5): 3.73; (3)ACD/LogD (pH 7.4): 3.73; (4)ACD/BCF (pH 5.5): 402.82; (5)ACD/BCF (pH 7.4): 402.82; (6)ACD/KOC (pH 5.5): 2548.82; (7)ACD/KOC (pH 7.4): 2548.82; (8)#H bond acceptors: 3 ; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 35.53Å2; (11)Index of Refraction: 1.531; (12)Molar Refractivity: 94.09 cm3; (13)Molar Volume: 304 cm3; (14)Polarizability: 37.3x10-24cm3; (15)Surface Tension: 39.8 dyne/cm; (16)Enthalpy of Vaporization: 68.48 kJ/mol; (17)Vapour Pressure: 1.39E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C2CC[C@H]3[C@@H]4[C@H](C)CC=1CC(OC)(CCC=1[C@H]4CC[C@]23C)OC
(2)InChI: InChI=1/C21H32O3/c1-13-11-14-12-21(23-3,24-4)10-8-15(14)16-7-9-20(2)17(19(13)16)5-6-18(20)22/h13,16-17,19H,5-12H2,1-4H3/t13-,16-,17+,19-,20+/m1/s1
(3)InChIKey: RKALVZFWSBYRNC-HIHRSEIJBU
(4)Std. InChI: InChI=1S/C21H32O3/c1-13-11-14-12-21(23-3,24-4)10-8-15(14)16-7-9-20(2)17(19(13)16)5-6-18(20)22/h13,16-17,19H,5-12H2,1-4H3/t13-,16-,17+,19-,20+/m1/s1
(5)Std. InChIKey: RKALVZFWSBYRNC-HIHRSEIJSA-N
