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32539-83-6

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Basic Information
CAS No.: 32539-83-6
Name: 3,4,5,6,7,8,9,10,11,12,13,14-dodecahydro-2H-cyclododeca[b]pyran
Article Data: 9
Molecular Structure:
Molecular Structure of 32539-83-6 (3,4,5,6,7,8,9,10,11,12,13,14-dodecahydro-2H-cyclododeca[b]pyran)
Formula: C15H26O
Molecular Weight: 222.371
Synonyms: 3,4,5,6,7,8,9,10,11,12,13,14-Dodecahydro-2H-cyclododeca(b)pyran;
EINECS: 251-090-5
Density: 0.93 g/cm3
Boiling Point: 339.2 °C at 760 mmHg
Flash Point: 155.5 °C
PSA: 9.23000
LogP: 4.96550
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Specification

The CAS register number of 2H-Cyclododeca(b)pyran, 3,4,5,6,7,8,9,10,11,12,13,14-dodecahydro- is 32539-83-6. The IUPAC name about this chemical is 3,4,5,6,7,8,9,10,11,12,13,14-dodecahydro-2H-cyclododeca[b]pyran. The molecular formula about this chemical is C15H26O and the molecular weight is 222.36634. Classification code about this chemical is TSCA Flag P [A commenced PMN (Premanufacture Notice) substance].

Physical properties about 2H-Cyclododeca(b)pyran, 3,4,5,6,7,8,9,10,11,12,13,14-dodecahydro- are: (1)ACD/LogP: 5.70; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.7; (4)ACD/LogD (pH 7.4): 5.7; (5)ACD/BCF (pH 5.5): 12539.07; (6)ACD/BCF (pH 7.4): 12539.07; (7)ACD/KOC (pH 5.5): 29862.54; (8)ACD/KOC (pH 7.4): 29862.54; (9)#H bond acceptors: 1; (10)Polar Surface Area: 9.23Å2; (11)Index of Refraction: 1.488; (12)Molar Refractivity: 68.61 cm3; (13)Molar Volume: 237.7 cm3; (14)Polarizability: 27.19x10-24cm3; (15)Surface Tension: 33.5 dyne/cm; (16)Flash Point: 155.5 °C; (17)Enthalpy of Vaporization: 55.95 kJ/mol; (18)Boiling Point: 339.2 °C at 760 mmHg; (19)Vapour Pressure: 0.000184 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O1\C2=C(/CCC1)CCCCCCCCCC2
(2)InChI: InChI=1/C15H26O/c1-2-4-6-8-12-15-14(10-7-5-3-1)11-9-13-16-15/h1-13H2
(3)InChIKey: VJRVVBJENDJBLJ-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C15H26O/c1-2-4-6-8-12-15-14(10-7-5-3-1)11-9-13-16-15/h1-13H2
(5)Std. InChIKey: VJRVVBJENDJBLJ-UHFFFAOYSA-N