CAS No.68227-33-8,2,5,8,11-tetramethyldodec-6-yne-5,8-diol Suppliers

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Basic Information

Molecular Structure:
CAS No.:	68227-33-8
Name:	2,5,8,11-tetramethyldodec-6-yne-5,8-diol

Formula:	C₁₆H₃₀O₂
Molecular Weight:	254.41
Synonyms:	2,5,8,11-Tetramethyl-6-dodecyne-5,8-diol;DF 110D;Surfynol 110D;Surfynol 124;Surfynol DF 110;Surfynol DF 110D;2,5,8,11-Tetramethyldodec-6-yne-5,8-diol;
EINECS:	269-348-0
Density:	0.935 g/cm³
Boiling Point:	268.5 °C at 760 mmHg
Flash Point:	100.6 °C
Solubility:	92.9mg/L at 20℃
PSA:	40.46000
LogP:	3.36420

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Specification

The 6-Dodecyne-5,8-diol,2,5,8,11-tetramethyl-, with the CAS registry number 68227-33-8, is also known as 2,5,8,11-Tetramethyl-6-dodecyne-5,8-diol. Its EINECS number is 269-348-0. This chemical's molecular formula is C₁₆H₃₀O₂ and formula weight is 254.41. What's more, its IUPAC name is 2,5,8,11-tetramethyldodec-6-yne-5,8-diol.

Physical properties of 6-Dodecyne-5,8-diol,2,5,8,11-tetramethyl- are: (1)ACD/LogP: 4.18; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.17; (4)ACD/BCF (pH 5.5): 876.31; (5)ACD/KOC (pH 5.5): 4445.86; (6)ACD/KOC (pH 7.4): 4445.84; (7)#H bond acceptors: 2; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 9; (10)Polar Surface Area: 18.46 Å²; (11)Index of Refraction: 1.479; (12)Molar Refractivity: 77.09 cm³; (13)Molar Volume: 271.8 cm³; (14)Surface Tension: 35.8 dyne/cm; (15)Density: 0.935 g/cm³; (16)Flash Point: 100.6 °C; (17)Enthalpy of Vaporization: 58.82 kJ/mol; (18)Boiling Point: 268.5 °C at 760 mmHg; (19)Vapour Pressure: 0.00103 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)CCC(C)(C#CC(C)(CCC(C)C)O)O
(2)InChI: InChI=1S/C16H30O2/c1-13(2)7-9-15(5,17)11-12-16(6,18)10-8-14(3)4/h13-14,17-18H,7-10H2,1-6H3
(3)InChIKey: RHRRUYIZUBAQTQ-UHFFFAOYSA-N