3-Benzyloxycyclobutane-1,1-dicarboxylic acid diethyl ester supplier

Name
3-BENZYLOXYCYCLOBUTANE-1,1-DICARBOXYLIC ACID DIETHYL ESTER
EINECS
CAS No. 54166-15-3
Article Data32
CAS DataBase
Density 1.15 g/cm³
Solubility
Melting Point
Formula C₁₇H₂₂O₅
Boiling Point 368.3 °C at 760 mmHg
Molecular Weight 306.359
Flash Point 158.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1,1-Cyclobutanedicarboxylicacid, 3-(benzyloxy)-, diethyl ester (6CI);1,1-Cyclobutanedicarboxylic acid,3-(phenylmethoxy)-, diethyl ester (9CI);3-(Phenylmethoxy)-1,1-cyclobutanedicarboxylic acid diethyl ester;Diethyl3-benzyloxy-1,1-cyclobutanedicarboxylate;
PSA
LogP

3-Benzyloxycyclobutane-1,1-dicarboxylic acid diethyl ester Specification

The 3-Benzyloxycyclobutane-1,1-dicarboxylic acid diethyl ester with the cas number 54166-15-3 is also called 1,1-Cyclobutanedicarboxylicacid, 3-(phenylmethoxy)-, 1,1-diethyl ester. The IUPAC name is diethyl 3-phenylmethoxycyclobutane-1,1-dicarboxylate. Its molecular formula is C₁₇H₂₂O₅.

The properties of the chemical are: (1)ACD/LogP: 3.57; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.57; (4)ACD/LogD (pH 7.4): 3.57; (5)ACD/BCF (pH 5.5): 305.14; (6)ACD/BCF (pH 7.4): 305.14; (7)ACD/KOC (pH 5.5): 2089.33; (8)ACD/KOC (pH 7.4): 2089.33; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 61.83 Å²; (13)Index of Refraction: 1.523; (14)Molar Refractivity: 81.08 cm³; (15)Molar Volume: 265.1 cm³; (16)Polarizability: 32.14×10^-24cm³; (17)Surface Tension: 43.3 dyne/cm; (18)Enthalpy of Vaporization: 61.49 kJ/mol; (19)Vapour Pressure: 1.29×10^-5mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CCOC(=O)C2(CC(OCc1ccccc1)C2)C(=O)OCC
(2)InChI: InChI=1/C17H22O5/c1-3-20-15(18)17(16(19)21-4-2)10-14(11-17)22-12-13-8-6-5-7-9-13/h5-9,14H,3-4,10-12H2,1-2H3
(3)InChIKey: OSQKNXLJUGYQHW-UHFFFAOYAI

Product Name

3-BENZYLOXYCYCLOBUTANE-1,1-DICARBOXYLIC ACID DIETHYL ESTER

3-Benzyloxycyclobutane-1,1-dicarboxylic acid diethyl ester Specification

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