CAS No.23811-08-7,HINESOL Suppliers

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Basic Information

Molecular Structure:
CAS No.:	23811-08-7
Name:	HINESOL
Article Data:	18

Formula:	C₁₅H₂₆O
Molecular Weight:	222.371
Synonyms:	Hinesol(6CI,7CI);Spiro[4.5]dec-6-ene-2-methanol, a,a,6,10-tetramethyl-, [2R-[2a,5a(S*)]]- (8CI);(-)-Hinesol;
Density:	0.962 g/cm³
Melting Point:	59-60 °C
Boiling Point:	312.188 °C at 760 mmHg
Flash Point:	114.626 °C
PSA:	20.23000
LogP:	3.92000

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Specification

This chemical is called (2R,5S,10S)-alpha,alpha,6,10-Tetramethylspiro[4.5]dec-6-ene-2-methanol, and its IUPAC name is 2-[(3R,5S,6S)-6,10-dimethylspiro[4.5]dec-9-en-3-yl]propan-2-ol. With the molecular formula of C₁₅H₂₆O, its molecular weight is 222.37. The CAS registry number of this chemical is 23811-08-7, and its product category is Miscellaneous Natural Product.

Other characteristics of the (2R,5S,10S)-alpha,alpha,6,10-Tetramethylspiro[4.5]dec-6-ene-2-methanol can be summarised as followings: (1)ACD/LogP: 4.70; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 5; (4)ACD/LogD (pH 7.4): 5; (5)ACD/BCF (pH 5.5): 2081; (6)ACD/BCF (pH 7.4): 2081; (7)ACD/KOC (pH 5.5): 8257; (8)ACD/KOC (pH 7.4): 8257; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 20.23 Å²; (13)Index of Refraction: 1.505; (14)Molar Refractivity: 68.599 cm³; (15)Molar Volume: 231.219 cm³; (16)Polarizability: 27.195×10^-24cm³; (17)Surface Tension: 34.707 dyne/cm; (18)Density: 0.962 g/cm³; (19)Flash Point: 114.626 °C; (20)Enthalpy of Vaporization: 64.139 kJ/mol; (21)Boiling Point: 312.188 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OC([C@H]2CC[C@@]1(/C(=C\CC[C@H]1C)C)C2)(C)C
(2)InChI: InChI=1/C15H26O/c1-11-6-5-7-12(2)15(11)9-8-13(10-15)14(3,4)16/h6,12-13,16H,5,7-10H2,1-4H3/t12-,13+,15+/m1/s1
(3)InChIKey: ICWHTQRTTHCUHW-IPYPFGDCBV
(4)Std. InChI: InChI=1S/C15H26O/c1-11-6-5-7-12(2)15(11)9-8-13(10-15)14(3,4)16/h6,12-13,16H,5,7-10H2,1-4H3/t12-,13+,15+/m1/s1
(5)Std. InChIKey: ICWHTQRTTHCUHW-IPYPFGDCSA-N