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| CAS No.: | 38432-77-8 |
|---|---|
| Name: | 2-Isopropyl-2-adamantanol |
| Article Data: | 3 |
| Cas Database | |
| Molecular Structure: | |
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| Formula: | C13H22O |
| Molecular Weight: | 194.317 |
| Synonyms: | 2-(Propan-2-yl)tricyclo[3.3.1.13,7]decan-2-ol;2-i-Propyl-2-adamantanol; |
| Density: | 1.039 g/cm3 |
| Boiling Point: | 279.623 °C at 760 mmHg |
| Flash Point: | 116.657 °C |
| PSA: | 20.23000 |
| LogP: | 2.82960 |
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- 38435-51-7Benzenecarboximidoylchloride, N-hydroxy-4-methoxy-
- 38436-44-12-Naphthalenecarbonylchloride, 1,2-dihydro-
- 3843-74-1Methyl caffeate
- 384380-52-3Abacavir Carboxylate
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- 38439-93-91,4-Benzenediacetonitrile,2,5-dimethoxy-
- 3844-45-9Benzenemethanaminium,N-ethyl-N-[4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl](2-sulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-3-sulfo-,inner salt, sodium salt (1:2)
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Specification
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