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CAS No.: | 93840-85-8 |
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Name: | 2-(4-methoxybutylidene)-1,3,3-trimethylbicyclo[2.2.1]heptane |
Molecular Structure: | |
Formula: | C15H26O |
Molecular Weight: | 222.36634 |
Synonyms: | 2-(4-Methoxybutylidene)-1,3,3-trimethylbicyclo[2.2.1]heptane; |
EINECS: | 298-952-7 |
Density: | 0.96 g/cm3 |
Boiling Point: | 273 °C at 760 mmHg |
Flash Point: | 105.7 °C |
PSA: | 9.23000 |
LogP: | 4.18560 |
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The Bicyclo[2.2.1]heptane, 2-(4-methoxybutylidene)-1,3,3-trimethyl-, with the CAS registry number 93840-85-8, is also known as 2-(4-Methoxybutylidene)-1,3,3-trimethylbicyclo[2.2.1]heptane. Its EINECS registry number is 298-952-7. This chemical's molecular formula is C15H26O and molecular weight is 222.36634. Its systematic name is called 2-(4-methoxybutylidene)-1,3,3-trimethyl-norbornane.
Physical properties of Bicyclo[2.2.1]heptane, 2-(4-methoxybutylidene)-1,3,3-trimethyl-: (1)ACD/LogP: 5.18; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.18; (4)ACD/LogD (pH 7.4): 5.18; (5)#H bond acceptors: 1; (6)#Freely Rotating Bonds: 4; (7)Index of Refraction: 1.523; (8)Molar Refractivity: 70.79 cm3; (9)Molar Volume: 231.4 cm3; (10)Surface Tension: 35.8 dyne/cm; (11)Density: 0.96 g/cm3; (12)Flash Point: 105.7 °C; (13)Enthalpy of Vaporization: 49.07 kJ/mol; (14)Boiling Point: 273 °C at 760 mmHg; (15)Vapour Pressure: 0.00983 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CC2(C)C1CCC(C)(C1)C2=CCCCOC
(2)InChI: InChI=1/C15H26O/c1-14(2)12-8-9-15(3,11-12)13(14)7-5-6-10-16-4/h7,12H,5-6,8-11H2,1-4H3
(3)InChIKey: XMLQMWOIFMVPFQ-UHFFFAOYAL