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CAS No.: | 30303-65-2 |
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Name: | Docosanol |
Molecular Structure: | |
Formula: | C22H46O |
Molecular Weight: | 326.60 |
Synonyms: | Lidakol;Docosan-1-ol; |
Density: | 0.839 g/cm3 |
Boiling Point: | 375.9 °C at 760 mmHg |
Flash Point: | 142.5 °C |
PSA: | 20.23000 |
LogP: | 7.80060 |
The Docosanol, with the CAS registry number 30303-65-2, is also known as Lidakol. This chemical's molecular formula is C22H46O and molecular weight is 326.60. What's more, its IUPAC name is Docosan-1-ol. Its classification codes are: (1)Anti-Infective Agents; (2)Antiviral Agents.
Physical properties of Docosanol are: (1)ACD/LogP: 10.44; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 10.44; (4)ACD/LogD (pH 7.4): 10.44; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 10000000; (8)ACD/KOC (pH 7.4): 10000000; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 21; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.454; (14)Molar Refractivity: 105.5 cm3; (15)Molar Volume: 389.1 cm3; (16)Polarizability: 41.82×10-24 cm3; (17)Surface Tension: 31.7 dyne/cm; (18)Density: 0.839 g/cm3; (19)Flash Point: 142.5 °C; (20)Enthalpy of Vaporization: 72.13 kJ/mol; (21)Boiling Point: 375.9 °C at 760 mmHg; (22)Vapour Pressure: 3.44E-07 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCCCCCCCCCCCCCCCCCCCO
(2)InChI: InChI=1S/C22H46O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23/h23H,2-22H2,1H3
(3)InChIKey: NOPFSRXAKWQILS-UHFFFAOYSA-N