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31685-38-8

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Basic Information
CAS No.: 31685-38-8
Name: 2-(1-adamantyl)propanol
Article Data: 5
Molecular Structure:
Molecular Structure of 31685-38-8 (2-(1-adamantyl)propanol)
Formula: C13H22O
Molecular Weight: 194.317
Synonyms: 1-Adamantanepropanol(8CI);1-(3-Hydroxypropyl)adamantane;3-(1-Adamantyl)propan-1-ol;
Density: 1.045 g/cm3
Boiling Point: 287.4 °C at 760 mmHg
Flash Point: 134.8 °C
PSA: 20.23000
LogP: 2.83120
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Specification

This chemical is called 3-(1-Adamantyl)propan-1-ol, and its systematic name is 3-(tricyclo[3.3.1.13,7]dec-1-yl)propan-1-ol. With the molecular formula of C13H22O, its molecular weight is 194.31. The CAS registry number of this chemical is 31685-38-8.

Other characteristics of the 3-(1-Adamantyl)propan-1-ol can be summarised as followings: (1)ACD/LogP: 3.76; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.76; (4)ACD/LogD (pH 7.4): 3.76; (5)ACD/BCF (pH 5.5): 422.79; (6)ACD/BCF (pH 7.4): 422.79; (7)ACD/KOC (pH 5.5): 2638.67; (8)ACD/KOC (pH 7.4): 2638.67; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.532; (14)Molar Refractivity: 57.61 cm3; (15)Molar Volume: 185.7 cm3; (16)Polarizability: 22.84×10-24cm3; (17)Surface Tension: 45.1 dyne/cm; (18)Density: 1.045 g/cm3; (19)Flash Point: 134.8 °C; (20)Enthalpy of Vaporization: 61.11 kJ/mol; (21)Boiling Point: 287.4 °C at 760 mmHg; (22)Vapour Pressure: 0.000279 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: OCCCC13CC2CC(CC(C1)C2)C3
2.InChI: InChI=1/C13H22O/c14-3-1-2-13-7-10-4-11(8-13)6-12(5-10)9-13/h10-12,14H,1-9H2
3.InChIKey: ASRLPYUFROGXNU-UHFFFAOYAA