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67785-73-3

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Basic Information
CAS No.: 67785-73-3
Name: 1,1-Bis[(3,7-dimethyl-2,6-octadienyl)oxy]nonane
Molecular Structure:
Molecular Structure of 67785-73-3 (1,1-Bis[(3,7-dimethyl-2,6-octadienyl)oxy]nonane)
Formula: C29H52O2
Molecular Weight: 432.722
Synonyms: Nonane,1,1-bis[(3,7-dimethyl-2,6-octadienyl)oxy]- (9CI);1,1-bis{[(2E)-3,7-dimethylocta-2,6-dien-1-yl]oxy}nonane;Nonane,1,1-bis[(3,7-dimethyl-2,6-octadien-1-yl)oxy]-;(2E)-1-[1-[(2E)-3,7-dimethylocta-2,6-dienoxy]nonoxy]-3,7-dimethylocta-2,;
Density: 0.875 g/cm3
Boiling Point: 501.9 °C at 760 mmHg
Flash Point: 97.6 °C
PSA: 18.46000
LogP: 9.48170
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Specification

The 1,1-Digeranyloxynonane, with the CAS registry number 67785-73-3, is also known as Nonane,1,1-bis[(3,7-dimethyl-2,6-octadien-1-yl)oxy]-. This chemical's molecular formula is C29H52O2 and formula weight is 432.722. What's more, its IUPAC name is (2E)-1-[1-[(2E)-3,7-dimethylocta-2,6-dienoxy]nonoxy]-3,7-dimethylocta-2,6-diene. 

Physical properties of 1,1-Digeranyloxynonane are: (1)ACD/LogP: 11.92; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 11.92; (4)ACD/BCF (pH 5.5): 1000000; (5)ACD/KOC (pH 5.5): 10000000; (6)#H bond acceptors: 2; (7)#H bond donors: 0; (8)#Freely Rotating Bonds: 19; (9)Polar Surface Area: 18.46 Å2; (10)Index of Refraction: 1.476; (11)Molar Refractivity: 139.45 cm3; (12)Molar Volume: 493.9 cm3; (13)Surface Tension: 30 dyne/cm; (14)Density: 0.875 g/cm3; (15)Flash Point: 97.6 °C; (16)Enthalpy of Vaporization: 74.16 kJ/mol; (17)Boiling Point: 501.9 °C at 760 mmHg; (18)Vapour Pressure: 1.04E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCCCCCC(OCC=C(C)CCC=C(C)C)OCC=C(C)CCC=C(C)C
(2)Isomeric SMILES: CCCCCCCCC(OC/C=C(/CCC=C(C)C)\C)OC/C=C(/CCC=C(C)C)\C
(3)InChI: InChI=1S/C29H52O2/c1-8-9-10-11-12-13-20-29(30-23-21-27(6)18-14-16-25(2)3)31-24-22-28(7)19-15-17-26(4)5/h16-17,21-22,29H,8-15,18-20,23-24H2,1-7H3/b27-21+,28-22+
(4)InChIKey: FOZNRVHWZWWCPV-GPAWKIAZSA-N