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511-59-1

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Basic Information
CAS No.: 511-59-1
Name: (1S-exo)-2-methyl-3-methylene-2-(4-methyl-3-pentenyl)bicyclo[2.2.1]heptane
Article Data: 20
Molecular Structure:
Molecular Structure of 511-59-1 ((1S-exo)-2-methyl-3-methylene-2-(4-methyl-3-pentenyl)bicyclo[2.2.1]heptane)
Formula: C15H24
Molecular Weight: 204.356
Synonyms: Bicyclo[2.2.1]heptane,2-methyl-3-methylene-2-(4-methyl-3-pentenyl)-, (1S,2R,4R)- (9CI);Bicyclo[2.2.1]heptane, 2-methyl-3-methylene-2-(4-methyl-3-pentenyl)-,(1S-exo)-;Norbornane, 2-methyl-3-methylene-2-(4-methyl-3-pentenyl)- (8CI);β-Santalene (6CI,7CI);(-)-β-Santalene;(1S,2R,4R)-2-Methyl-3-methylene-2-(4-methylpent-3-en-1-yl)bicyclo[2.2.1]heptane;(1S-exo)-2-Methyl-3-methylene-2-(4-methyl-3-pentenyl)bicyclo(2.2.1)heptane;Bicyclo(2.2.1)heptane, 2-methyl-3-methylene-2-(4-methyl-3-pentenyl)-, (1S,2R,4R)-;bicyclo[2.2.1]heptane, 2-methyl-3-methylene-2-(4-methyl-3-penten-1-yl)-, (1S,2R,4R)-;Bicyclo[2.2.1]heptane, 2-methyl-3-methylene-2-(4-methyl-3-pentenyl)-, (1S-exo)-;
EINECS: 208-130-1
Density: 0.89 g/cm3
Boiling Point: 260.1 °C at 760 mmHg
Flash Point: 100.8 °C
PSA: 0.00000
LogP: 4.72520
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Specification

The Bicyclo[2.2.1]heptane,2-methyl-3-methylene-2-(4-methyl-3-penten-1-yl)-, (1S,2R,4R)-, with the CAS registry number 511-59-1 and EINECS registry number 208-130-1, has the systematic name of (1S,2R,4R)-2-methyl-3-methylidene-2-(4-methylpent-3-en-1-yl)bicyclo[2.2.1]heptane. And the molecular formula of this chemical is C15H24.

The physical properties of Bicyclo[2.2.1]heptane,2-methyl-3-methylene-2-(4-methyl-3-penten-1-yl)-, (1S,2R,4R)- are as followings: (1)ACD/LogP: 6.54; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.54; (4)ACD/LogD (pH 7.4): 6.54; (5)ACD/BCF (pH 5.5): 55116.79; (6)ACD/BCF (pH 7.4): 55116.79; (7)ACD/KOC (pH 5.5): 86177.3; (8)ACD/KOC (pH 7.4): 86177.3; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.494; (14)Molar Refractivity: 66.59 cm3; (15)Molar Volume: 228.4 cm3; (16)Polarizability: 26.4×10-24cm3; (17)Surface Tension: 29.7 dyne/cm; (18)Density: 0.89 g/cm3; (19)Flash Point: 100.8 °C; (20)Enthalpy of Vaporization: 47.76 kJ/mol; (21)Boiling Point: 260.1 °C at 760 mmHg; (22)Vapour Pressure: 0.0202 mmHg at 25°C.

Uses of Bicyclo[2.2.1]heptane,2-methyl-3-methylene-2-(4-methyl-3-penten-1-yl)-, (1S,2R,4R)-: It can be used to produce (-)-β-santalene. This reaction will need reagents hydrazine and KOH, and the solvent ethane-1,2-diol. The reaction time is 5 hours with heating, and the yield is about 85%. 

Bicyclo[2.2.1]heptane,2-methyl-3-methylene-2-(4-methyl-3-penten-1-yl)-, (1S,2R,4R)- can be used to produce (-)-β-santalene

You can still convert the following datas into molecular structure:
(1)SMILES: C1(=C)\[C@@](CC\C=C(/C)C)(C)[C@@H]2C[C@H]1CC2
(2)InChI: InChI=1/C15H24/c1-11(2)6-5-9-15(4)12(3)13-7-8-14(15)10-13/h6,13-14H,3,5,7-10H2,1-2,4H3/t13-,14+,15+/m1/s1
(3)InChIKey: PGBNIHXXFQBCPU-ILXRZTDVBI