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Basic Information
CAS No.: 5434-18-4
Name: 1-benzo[1,3]dioxol-5-ylbut-3-enyl undec-10-enoate
Molecular Structure:
Molecular Structure of 5434-18-4 (1-benzo[1,3]dioxol-5-ylbut-3-enyl undec-10-enoate)
Formula: C22H30O4
Molecular Weight: 358.4712
Synonyms: 1-(1,3-Benzodioxol-5-yl)but-3-en-1-yl undec-10-enoate;
Density: 1.046 g/cm3
Boiling Point: 451.7 °C at 760 mmHg
Flash Point: 193.6 °C
PSA: 44.76000
LogP: 5.88250
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Specification

The CAS registry number of 1-Benzo[1,3]dioxol-5-ylbut-3-enyl undec-10-enoate is 5434-18-4. This chemical's molecular formula is C22H30O4 and molecular weight is 358.4712. What's more, its systematic name is called 1-(1,3-Benzodioxol-5-yl)but-3-en-1-yl undec-10-enoate.

Physical properties about 1-Benzo[1,3]dioxol-5-ylbut-3-enyl undec-10-enoate are: (1)ACD/LogP: 7.12; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 14; (6)Polar Surface Area: 44.76 Å2; (7)Index of Refraction: 1.515; (8)Molar Refractivity: 103.41 cm3; (9)Molar Volume: 342.4 cm3; (10)Surface Tension: 39.3 dyne/cm; (11)Density: 1.046 g/cm3; (12)Flash Point: 193.6 °C; (13)Enthalpy of Vaporization: 71.08 kJ/mol; (14)Boiling Point: 451.7 °C at 760 mmHg; (15)Vapour Pressure: 2.38E-08 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC(c1ccc2OCOc2c1)C\C=C)CCCCCCCC\C=C
(2) InChI: InChI=1/C22H30O4/c1-3-5-6-7-8-9-10-11-13-22(23)26-19(12-4-2)18-14-15-20-21(16-18)25-17-24-20/h3-4,14-16,19H,1-2,5-13,17H2
(3) InChIKey: KXXBORXYWJRZAX-UHFFFAOYAK