Products Categories
| CAS No.: | 94201-68-0 |
|---|---|
| Name: | Isobutyl 1,2,3,4,5,6,7,8-octahydro-2,8,8-trimethyl-2-naphthoate |
| Molecular Structure: | |
 |
|
| Formula: | C18H30O2 |
| Molecular Weight: | 278.4296 |
| Synonyms: | isobutyl 1,2,3,4,5,6,7,8-octahydro-2,8,8-trimethyl-2-naphthoate;1,2,3,4,5,6,7,8-Octahydro-2,8,8-trimethyl-2-naphthalenecarboxylic acid 2-methylpropyl ester |
| EINECS: | 303-656-9 |
| Density: | 0.97 g/cm3 |
| Boiling Point: | 342.9 °C at 760 mmHg |
| Flash Point: | 154.6 °C |
| PSA: | 26.30000 |
| LogP: | 4.88250 |
- 958254-66-51H-Imidazo[4,5-b]pyridine-2-carboxaldehyde, 1-methyl-, hydrochloride
- 99170-93-1N-Methyl-2-oxazolamine
- 97730-31-9(S)-4'-(2-Methylbutyl)Biphenyl-4-Carbonitrile
- 95789-13-21,3,7-trimethylpurine-2,6-dione
- 956104-42-02-Bromo-5-nitro-3-(trifluoromethyl)pyridine
- 945683-37-41-butyl-2,3-dimethylimidazolium octanesulfate
- 946052-36-41-Butyl-3-methylpyridinium methanesulfonate
- 942196-38-51-Hexyl-3-methylpyridinium hexafluorophosphat
- 943976-22-5Mefway
- 943962-59-2Tosyl-Mefway
- Total:3 Page 1 of 1 1
What can I do for you?
Get Best Price
Specification
The CAS registry number of Isobutyl 1,2,3,4,5,6,7,8-octahydro-2,8,8-trimethyl-2-naphthoate is 94201-68-0. Its EINECS registry number is 303-656-9. This chemical's molecular formula is C18H30O2 and molecular weight is 278.4296. Its IUPAC name is called 2-methylpropyl 2,8,8-trimethyl-1,3,4,5,6,7-hexahydronaphthalene-2-carboxylate.
Physical properties of Isobutyl 1,2,3,4,5,6,7,8-octahydro-2,8,8-trimethyl-2-naphthoate: (1)ACD/LogP: 6.49; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.49; (4)ACD/LogD (pH 7.4): 6.49; (5)ACD/BCF (pH 5.5): 49974.9; (6)ACD/BCF (pH 7.4): 49974.9; (7)ACD/KOC (pH 5.5): 80343.13; (8)ACD/KOC (pH 7.4): 80343.13; (9)#H bond acceptors: 2; (10)#Freely Rotating Bonds: 4; (11)Index of Refraction: 1.491; (12)Molar Refractivity: 82.6 cm3; (13)Molar Volume: 285 cm3; (14)Surface Tension: 33.9 dyne/cm; (15)Density: 0.97 g/cm3; (16)Flash Point: 154.6 °C; (17)Enthalpy of Vaporization: 58.67 kJ/mol; (18)Boiling Point: 342.9 °C at 760 mmHg; (19)Vapour Pressure: 7.3E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)COC(=O)C1(CCC2=C(C1)C(CCC2)(C)C)C
(2)InChI: InChI=1S/C18H30O2/c1-13(2)12-20-16(19)18(5)10-8-14-7-6-9-17(3,4)15(14)11-18/h13H,6-12H2,1-5H3
(3)InChIKey: QWLXSPZLVCBDHM-UHFFFAOYSA-N