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118101-30-7

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Basic Information
CAS No.: 118101-30-7
Name: (R,R)-(-)-1,2-CYCLODODECANEDIOL
Article Data: 3
Molecular Structure:
Molecular Structure of 118101-30-7 ((R,R)-(-)-1,2-CYCLODODECANEDIOL)
Formula: C12H24O2
Molecular Weight: 200.321
Synonyms: 1,2-Cyclododecanediol,[1R-(1R*,2R*)]- (9CI);
PSA: 40.46000
LogP: 2.62280
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Specification

This chemical is called 1,2-Cyclododecanediol,(1R,2R)-, and its systematic name is (1R,2R)-cyclododecane-1,2-diol. With the molecular formula of C12H24O2, its molecular weight is 200.32. The CAS registry number of this chemical is 118101-30-7.

Other characteristics of the can be summarised as followings: (1)ACD/LogP: 2.83; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 289; (6)ACD/BCF (pH 7.4): 289; (7)ACD/KOC (pH 5.5): 2007; (8)ACD/KOC (pH 7.4): 2007; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 40.46 ?2; (13)Index of Refraction: 1.478; (14)Molar Refractivity: 58.522 cm3; (15)Molar Volume: 206.857 cm3; (16)Polarizability: 23.2×10-24cm3; (17)Surface Tension: 32.508 dyne/cm; (18)Density: 0.968 g/cm3; (19)Flash Point: 158.24 °C; (20)Enthalpy of Vaporization: 67.553 kJ/mol; (21)Boiling Point: 339.686 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O[C@@H]1CCCCCCCCCC[C@H]1O
2.InChI: InChI=1/C12H24O2/c13-11-9-7-5-3-1-2-4-6-8-10-12(11)14/h11-14H,1-10H2/t11-,12-/m1/s1
3.InChIKey: HAMFVYJFVXTJCJ-VXGBXAGGBY