Decyl (Z,Z,Z)-6-butyl-6-[[4-(decyloxy)-1,4-dioxobut-2-enyl]oxy]-4,8,11-trioxo-5,7,12-trioxa-6-stannadocosa-2,9-dienoate supplier

Name
Decyl (Z,Z,Z)-6-butyl-6-[[4-(decyloxy)-1,4-dioxobut-2-enyl]oxy]-4,8,11-trioxo-5,7,12-trioxa-6-stannadocosa-2,9-dienoate
EINECS 281-267-2
CAS No. 83898-56-0
Density
Solubility
Melting Point
Formula C₄₆H₇₈O₁₂Sn
Boiling Point 792.9 °C at 760 mmHg
Molecular Weight 941.81
Flash Point 433.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms [Butyl-bis[[(Z)-4-decoxy-4-oxo-but-2-enoyl]oxy]stannyl] decyl (Z)-but-2-enedioate;5,7,12-Trioxa-6-stannadocosa-2,9-dienoicacid, 6-butyl-6-[[4-(decyloxy)-1,4-dioxo-2-butenyl]oxy]-4,8,11-trioxo-, decylester, (Z,Z,Z)- (9CI);
PSA 199.29000
LogP 6.90130

Decyl (Z,Z,Z)-6-butyl-6-[[4-(decyloxy)-1,4-dioxobut-2-enyl]oxy]-4,8,11-trioxo-5,7,12-trioxa-6-stannadocosa-2,9-dienoate Specification

The Decyl (Z,Z,Z)-6-butyl-6-[[4-(decyloxy)-1,4-dioxobut-2-enyl]oxy]-4,8,11-trioxo-5,7,12-trioxa-6-stannadocosa-2,9-dienoate, with the CAS registry number 83898-56-0, is also known as [Butyl-bis[[(Z)-4-decoxy-4-oxo-but-2-enoyl]oxy]stannyl] decyl (Z)-but-2-enedioate. Its EINECS number is 281-267-2. This chemical's molecular formula is C₄₆H₇₈O₁₂Sn and molecular weight is 941.81. What's more, its systematic name is 4-O-[butyl-bis[[(Z)-4-decoxy-4-oxobut-2-enoyl]oxy]stannyl] 1-O-decyl (Z)-but-2-enedioate.

Physical properties of Decyl (Z,Z,Z)-6-butyl-6-[[4-(decyloxy)-1,4-dioxobut-2-enyl]oxy]-4,8,11-trioxo-5,7,12-trioxa-6-stannadocosa-2,9-dienoate are: (1)ACD/LogP: 19.86; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): 19.86; (4)ACD/LogD (pH 7.4): 19.86; (5)#H bond acceptors: 12; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 45; (8)Polar Surface Area: 157.8 Å²; (9)Flash Point: 433.4 °C; (10)Enthalpy of Vaporization: 115.33 kJ/mol; (11)Boiling Point: 792.9 °C at 760 mmHg; (12)Vapour Pressure: 3.94E-25 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCCCCCCCOC(=O)C=CC(=O)O[Sn](CCCC)(OC(=O)C=CC(=O)OCCCCCCCCCC)OC(=O)C=CC(=O)OCCCCCCCCCC
(2)Isomeric SMILES: CCCCCCCCCCOC(=O)/C=C\C(=O)O[Sn](OC(=O)/C=C\C(=O)OCCCCCCCCCC)(OC(=O)/C=C\C(=O)OCCCCCCCCCC)CCCC
(3)InChI: InChI=1S/3C14H24O4.C4H9.Sn/c3*1-2-3-4-5-6-7-8-9-12-18-14(17)11-10-13(15)16;1-3-4-2;/h3*10-11H,2-9,12H2,1H3,(H,15,16);1,3-4H2,2H3;/q;;;;+3/p-3/b3*11-10-;;
(4)InChIKey: MPVYEXRIRIBRHN-ZHJLFMMCSA-K

Product Name

Decyl (Z,Z,Z)-6-butyl-6-[[4-(decyloxy)-1,4-dioxobut-2-enyl]oxy]-4,8,11-trioxo-5,7,12-trioxa-6-stannadocosa-2,9-dienoate

Decyl (Z,Z,Z)-6-butyl-6-[[4-(decyloxy)-1,4-dioxobut-2-enyl]oxy]-4,8,11-trioxo-5,7,12-trioxa-6-stannadocosa-2,9-dienoate Specification

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