Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
2-Isopropyl-2-adamantanol |
EINECS | N/A |
CAS No. | 38432-77-8 | Density | 1.039 g/cm3 |
PSA | 20.23000 | LogP | 2.82960 |
Solubility | N/A | Melting Point |
N/A |
Formula | C13H22O | Boiling Point | 279.623 °C at 760 mmHg |
Molecular Weight | 194.317 | Flash Point | 116.657 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2-(Propan-2-yl)tricyclo[3.3.1.13,7]decan-2-ol;2-i-Propyl-2-adamantanol; |
Article Data | 3 |
The 2-Isopropyl-2-adamantanol, with the CAS registry number 38432-77-8, is also known as 2-i-Propyl-2-adamantanol. This chemical's molecular formula is C13H22O and molecular weight is 194.31. What's more, its systematic name is 2-(propan-2-yl)tricyclo[3.3.1.13,7]decan-2-ol.
Physical properties of 2-Isopropyl-2-adamantanol are: (1)ACD/LogP: 3.72; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 319; (6)ACD/BCF (pH 7.4): 319; (7)ACD/KOC (pH 5.5): 2156; (8)ACD/KOC (pH 7.4): 2156; (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: 1.528; (14)Molar Refractivity: 57.582 cm3; (15)Molar Volume: 186.975 cm3; (16)Polarizability: 22.827×10-24cm3; (17)Surface Tension: 38.358 dyne/cm; (18)Density: 1.039 g/cm3; (19)Flash Point: 116.657 °C; (20)Enthalpy of Vaporization: 60.163 kJ/mol; (21)Boiling Point: 279.623 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)C3(O)C1CC2CC3CC(C1)C2
(2)InChI: InChI=1S/C13H22O/c1-8(2)13(14)11-4-9-3-10(6-11)7-12(13)5-9/h8-12,14H,3-7H2,1-2H3
(3)InChIKey: ZYAFZSLKABJJJQ-UHFFFAOYSA-N