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174063-93-5

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Basic Information
CAS No.: 174063-93-5
Name: 5,7-Eicosadiyn-1-ol
Molecular Structure:
Molecular Structure of 174063-93-5 (5,7-Eicosadiyn-1-ol)
Formula: C20H34O
Molecular Weight: 290.489
Synonyms: Icosa-5,7-diyn-1-ol;
Density: 0.899 g/cm3
Boiling Point: 426.8 °C at 760 mmHg
Flash Point: 184.4 °C
PSA: 20.23000
LogP: 5.46680
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Specification

The 5,7-Eicosadiyn-1-ol, its CAS registry number is 174063-93-5. This chemical's molecular formula is C20H34O and molecular weight is 290.48. What's more, its systematic name is Icosa-5,7-diyn-1-ol.

Physical properties of 5,7-Eicosadiyn-1-ol are: (1)ACD/LogP: 7.98; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.98; (4)ACD/LogD (pH 7.4): 7.98; (5)ACD/BCF (pH 5.5): 678512.31; (6)ACD/BCF (pH 7.4): 678512.31; (7)ACD/KOC (pH 5.5): 519755.78; (8)ACD/KOC (pH 7.4): 519755.78; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 15; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.483; (14)Molar Refractivity: 92.25 cm3; (15)Molar Volume: 322.7 cm3; (16)Polarizability: 36.57×10-24 cm3; (17)Surface Tension: 37.8 dyne/cm; (18)Density: 0.899 g/cm3; (19)Flash Point: 184.4 °C; (20)Enthalpy of Vaporization: 78.71 kJ/mol; (21)Boiling Point: 426.8 °C at 760 mmHg; (22)Vapour Pressure: 4.5E-09 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: C(#CC#CCCCCO)CCCCCCCCCCCC
(2)InChI: InChI=1/C20H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21/h21H,2-12,17-20H2,1H3
(3)InChIKey: UIMRCKQWEYSALX-UHFFFAOYAA