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74996-30-8

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Basic Information
CAS No.: 74996-30-8
Name: CHOLESTERYL ISOAMYL ETHER
Article Data: 2
Molecular Structure:
Molecular Structure of 74996-30-8 (CHOLESTERYL ISOAMYL ETHER)
Formula: C32H56O
Molecular Weight: 456.796
Synonyms: NSC174258;3-(3-methylbutoxy)cholest-5-ene;Cholesteryl isoamyl ether;3β-Hydroxy-5-cholestene 3-isoamyl ether;5-Cholesten-3β-ol 3-isoamyl ether;
Density: 0.94 g/cm3
Boiling Point: 516.6 °C at 760 mmHg
Flash Point: 268.5 °C
PSA: 9.23000
LogP: 9.45910
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Specification

The Cholest-5-ene,3-(3-methylbutoxy)-, (3β)- (9CI), with the CAS registry number 74996-30-8, is also known as Cholesteryl isoamyl ether. This chemical's molecular formula is C32H56O and molecular weight is 456.79. What's more, its systematic name is 3-(3-methylbutoxy)cholest-5-ene. Its storage temperature is -20 °C.

Physical properties of Cholest-5-ene,3-(3-methylbutoxy)-, (3β)- (9CI) are: (1)ACD/LogP: 12.45; (2)# of Rule of 5 Violations: 1 ; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 9; (6)Polar Surface Area: 9.23 Å2; (7)Index of Refraction: 1.507; (8)Molar Refractivity: 143.31 cm3; (9)Molar Volume: 481.3 cm3; (10)Polarizability: 56.81×10-24 cm3; (11)Surface Tension: 35.4 dyne/cm; (12)Density: 0.94 g/cm3; (13)Flash Point: 268.5 °C; (14)Enthalpy of Vaporization: 75.9 kJ/mol; (15)Boiling Point: 516.6 °C at 760 mmHg; (16)Vapour Pressure: 2.89E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: O(CCC(C)C)C4CCC3(\C(=C/CC2C1C(C(C(C)CCCC(C)C)CC1)(C)CCC23)C4)C
(2)InChI: InChI=1/C32H56O/c1-22(2)9-8-10-24(5)28-13-14-29-27-12-11-25-21-26(33-20-17-23(3)4)15-18-31(25,6)30(27)16-19-32(28,29)7/h11,22-24,26-30H,8-10,12-21H2,1-7H3
(3)InChIKey: ANAJYEZUWQRKRT-UHFFFAOYAN