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85665-63-0

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Basic Information
CAS No.: 85665-63-0
Name: 3-methoxybutyl (Z,Z)-12,12-dibutyl-3-methyl-7,10,14-trioxo-2,6,11,13-tetraoxa-12-stannaheptadeca-8,15-dien-17-oate
Molecular Structure:
Molecular Structure of 85665-63-0 (3-methoxybutyl (Z,Z)-12,12-dibutyl-3-methyl-7,10,14-trioxo-2,6,11,13-tetraoxa-12-stannaheptadeca-8,15-dien-17-oate)
Formula: C26H44O10Sn
Molecular Weight: 635.33
Synonyms: [Dibutyl-[(Z)-4-(3-methoxybutoxy)-4-oxo-but-2-enoyl]oxy-stannyl] 3-methoxybutyl (Z)-but-2-enedioate;3-Methoxybutyl (Z,Z)-12,12-dibutyl-3-methyl-7,10,14-trioxo-2,6,11,13-tetraoxa-12-stannaheptadeca-8,15-dien-17-oate;
EINECS: 288-153-1
Boiling Point: 594.2 °C at 760 mmHg
Flash Point: 313.2 °C
PSA: 151.32000
LogP: 1.38180
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Specification

The 2,6,11,13-Tetraoxa-12-stannaheptadeca-8,15-dien-17-oicacid, 12,12-dibutyl-3-methyl-7,10,14-trioxo-, 3-methoxybutyl ester, (Z,Z)-(9CI), with the CAS registry number 85665-63-0, is also known as 3-Methoxybutyl (Z,Z)-12,12-dibutyl-3-methyl-7,10,14-trioxo-2,6,11,13-tetraoxa-12-stannaheptadeca-8,15-dien-17-oate. Its EINECS number is 288-153-1. This chemical's molecular formula is C26H44O10Sn and molecular weight is 635.33. What's more, its systematic name is [dibutyl-[(Z)-4-(3-methoxybutoxy)-4-oxo-but-2-enoyl]oxy-stannyl] 3-methoxybutyl (Z)-but-2-enedioate.

Physical properties of 2,6,11,13-Tetraoxa-12-stannaheptadeca-8,15-dien-17-oicacid, 12,12-dibutyl-3-methyl-7,10,14-trioxo-, 3-methoxybutyl ester, (Z,Z)-(9CI) are: (1)ACD/LogP: 8.11; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): 8.11; (4)ACD/LogD (pH 7.4): 8.11; (5)#H bond acceptors: 10; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 24; (8)Polar Surface Area: 123.66 Å2; (9)Flash Point: 313.2 °C; (10)Enthalpy of Vaporization: 88.58 kJ/mol; (11)Boiling Point: 594.2 °C at 760 mmHg; (12)Vapour Pressure: 4.33E-14 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O[Sn](CCCC)(OC(=O)\C=C/C(=O)OCCC(C)OC)CCCC)\C=C/C(=O)OCCC(C)OC
(2)InChI: InChI=1S/2C9H14O5.2C4H9.Sn/c2*1-7(13-2)5-6-14-9(12)4-3-8(10)11;2*1-3-4-2;/h2*3-4,7H,5-6H2,1-2H3,(H,10,11);2*1,3-4H2,2H3;/q;;;;+2/p-2/b2*4-3-;;;
(3)InChIKey: GUTCPQVLAHNWCI-VGKOASNMSA-L