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18492-65-4

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Basic Information
CAS No.: 18492-65-4
Name: CIS-4-HEPTENAL DIETHYL ACETAL
Article Data: 2
Molecular Structure:
Molecular Structure of 18492-65-4 (CIS-4-HEPTENAL DIETHYL ACETAL)
Formula: C11H22O2
Molecular Weight: 186.294
Synonyms: 3-Heptene,7,7-diethoxy-, (Z)-;4-Heptenal, diethyl acetal, (Z)- (8CI);
EINECS: 242-376-0
Density: 0.859 g/cm3
Boiling Point: 226.4 °C at 760 mmHg
Flash Point: 63.8 °C
Solubility: insoluble in water; soluble in organic solvents, oils
Appearance: colourless oily liquid with a mild, pleasant, herbaceous, fruit, melon-like odour
PSA: 18.46000
LogP: 3.13190
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Specification

The 3-Heptene, 7, 7-diethoxy-, (3Z)-, with the CAS registry number 18492-65-4, is also known as (3Z)-7, 7-Diethoxyhept-3-ene. Its EINECS registry number is 242-376-0. This chemical's molecular formula is C11H22O2 and molecular weight is 186.29. What's more, its IUPAC name is (Z)-7, 7-Diethoxyhept-3-ene.

Physical properties about 3-Heptene, 7, 7-diethoxy-, (3Z)- are: (1)ACD/LogP: 3.53; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 8; (6)Polar Surface Area: 18.46 Å2; (7)Index of Refraction: 1.434; (8)Molar Refractivity: 56.51 cm3; (9)Molar Volume: 216.8 cm3; (10)Polarizability: 22.4×10-24 cm3; (11)Surface Tension: 26.8 dyne/cm; (12)Density: 0.859 g/cm3; (13)Flash Point: 63.8 °C; (14)Enthalpy of Vaporization: 44.41 kJ/mol; (15)Boiling Point: 226.4 °C at 760 mmHg; (16)Vapour Pressure: 0.123 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O(CC)C(OCC)CC\C=C/CC
(2) InChI: InChI=1/C11H22O2/c1-4-7-8-9-10-11(12-5-2)13-6-3/h7-8,11H,4-6,9-10H2,1-3H3/b8-7-
(3) InChIKey: BOALWZNGHWYCRG-FPLPWBNLBX