Basic information
- Name:
5,9-Undecadienal,2,6,10-trimethyl-
- CAS No.:
24048-13-3
- Molecular Structure:
- Formula:
- C14H24O
- Molecular Weight:
- 208.3398
- Synonyms:
- Apofarnesal,dihydro-;Dihydroapofarnesal;
- EINECS:
- 245-999-6
- Density:
- 0.853 g/cm3
- Boiling Point:
- 292.8 °C at 760 mmHg
- Flash Point:
- 134.7 °C
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Specification
The 5,9-Undecadienal,2,6,10-trimethyl-, with the CAS registry number 24048-13-3, has the IUPAC name 2,6,10-trimethylundeca-5,9-dienal. Its molecular formula is C14H24O and its molecular weight is 208.3398. Additionally, its EINECS is 245-999-6.
Other characteristics of the 5,9-Undecadienal,2,6,10-trimethyl- can be summarised as followings: (1)ACD/LogP: 5.04; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.04; (4)ACD/LogD (pH 7.4): 5.04; (5)ACD/BCF (pH 5.5): 3966.96; (6)ACD/BCF (pH 7.4): 3966.96; (7)ACD/KOC (pH 5.5): 13102.97; (8)ACD/KOC (pH 7.4): 13102.97; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.459; (14)Molar Refractivity: 66.85 cm3; (15)Molar Volume: 244.1 cm3; (16)Polarizability: 26.5×10-24cm3; (17)Surface Tension: 28.1 dyne/cm; (18)Density: 0.853 g/cm3; (19)Flash Point: 134.7 °C; (20)Enthalpy of Vaporization: 53.24 kJ/mol; (21)Boiling Point: 292.8 °C at 760 mmHg; (22)Vapour Pressure: 0.00179 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=CC(CCC=C(CC\C=C(/C)C)C)C
2.InChI: InChI=1/C14H24O/c1-12(2)7-5-8-13(3)9-6-10-14(4)11-15/h7,9,11,14H,5-6,8,10H2,1-4H3
3.InChIKey: ZXGMEZJVBHJYEQ-UHFFFAOYAX
