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Basic Information
CAS No.: 324519-66-6
Name: 4-Pentenoic acid, 5-chloro-2-(1-methylethyl)-, (2S,4E)-
Article Data: 4
Molecular Structure:
Molecular Structure of 324519-66-6 (4-Pentenoic acid, 5-chloro-2-(1-methylethyl)-, (2S,4E)-)
Formula: C8H13ClO2
Molecular Weight: 176.643
Synonyms: Aliskiren inter-3;
Density: 1.097 g/cm3
Boiling Point: 265.563 °C at 760 mmHg
Flash Point: 114.409 °C
PSA: 37.30000
LogP: 2.48580
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The CAS register number of (2S,4E)-5-Chloro-2-(1-methylethyl)-4-pentenoic acid is 324519-66-6. It also can be called as 4-Pentenoic acid, 5-chloro-2-(1-methylethyl)-, (2S,4E)- and the IUPAC name about this chemical is (E,2S)-5-chloro-2-propan-2-ylpent-4-enoic acid. The molecular formula about this chemical is C8H13ClO2 and molecular weight is 176.64. It belongs to the Drug Intermediates.

Physical properties about (2S,4E)-5-Chloro-2-(1-methylethyl)-4-pentenoic acid are: (1)ACD/LogP: 2.76; (2)ACD/LogD (pH 5.5): 2; (3)ACD/BCF (pH 5.5): 6; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 61; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 2; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 37.3Å2; (11)Index of Refraction: 1.477; (12)Molar Refractivity: 45.501 cm3; (13)Molar Volume: 160.968 cm3; (14)Polarizability: 18.038x10-24cm3; (15)Surface Tension: 35.404 dyne/cm; (16)Enthalpy of Vaporization: 55.424 kJ/mol; (17)Boiling Point: 265.563 °C at 760 mmHg; (18)Vapour Pressure: 0.003 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl\C=C\C[C@H](C(=O)O)C(C)C
(2)InChI: InChI=1/C8H13ClO2/c1-6(2)7(8(10)11)4-3-5-9/h3,5-7H,4H2,1-2H3,(H,10,11)/b5-3+/t7-/m0/s1
(3)InChIKey: NOPVMHYFCPFLOH-MZTFZBDOBN
(4)Std. InChI: InChI=1S/C8H13ClO2/c1-6(2)7(8(10)11)4-3-5-9/h3,5-7H,4H2,1-2H3,(H,10,11)/b5-3+/t7-/m0/s1
(5)Std. InChIKey: NOPVMHYFCPFLOH-MZTFZBDOSA-N