Product Name

  • Name

    HINESOL

  • EINECS
  • CAS No. 23811-08-7
  • Article Data18
  • CAS DataBase
  • Density 0.962 g/cm3
  • Solubility
  • Melting Point 59-60 °C
  • Formula C15H26O
  • Boiling Point 312.188 °C at 760 mmHg
  • Molecular Weight 222.371
  • Flash Point 114.626 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 23811-08-7 (HINESOL)
  • Hazard Symbols
  • Synonyms Hinesol(6CI,7CI);Spiro[4.5]dec-6-ene-2-methanol, a,a,6,10-tetramethyl-, [2R-[2a,5a(S*)]]- (8CI);(-)-Hinesol;
  • PSA 20.23000
  • LogP 3.92000

(2R,5S,10S)-alpha,alpha,6,10-Tetramethylspiro[4.5]dec-6-ene-2-methanol 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

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