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26593-41-9

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Basic Information
CAS No.: 26593-41-9
Name: Diethyl 2-oxaspiro[3.3]heptane-6,6-dicarboxylate
Molecular Structure:
Molecular Structure of 26593-41-9 (Diethyl 2-oxaspiro[3.3]heptane-6,6-dicarboxylate)
Formula: C12H18O5
Molecular Weight: 242.26832
Synonyms: 2-Oxa-spiro[3,3]heptane-6,6-dicarboxylic acid diethyl ester;
Density: 1.193 g/cm3
Boiling Point: 297.587 °C at 760 mmHg
Flash Point: 126.585 °C
PSA: 61.83000
LogP: 0.90940
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Specification

The CAS registry number of Diethyl 2-oxaspiro[3.3]heptane-6,6-dicarboxylate is 26593-41-9. This chemical is also named as 2-Oxa-spiro[3,3]heptane-6,6-dicarboxylic acid diethyl ester. In addition, its molecular formula is C12H18O5 and molecular weight is 242.26832. Its systematic name and IUPAC name are the same which is called diethyl 6-oxaspiro[3.3]heptane-2,2-dicarboxylate.

Physical properties about Diethyl 2-oxaspiro[3.3]heptane-6,6-dicarboxylate are: (1)ACD/LogP: 0.94; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.942; (4)ACD/LogD (pH 7.4): 0.942; (5)ACD/BCF (pH 5.5): 3.062; (6)ACD/BCF (pH 7.4): 3.062; (7)ACD/KOC (pH 5.5): 77.538; (8)ACD/KOC (pH 7.4): 77.538; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Index of Refraction: 1.493; (13)Molar Refractivity: 58.994 cm3; (14)Molar Volume: 203.006 cm3; (15)Surface Tension: 41.6 dyne/cm; (16)Density: 1.193 g/cm3; (17)Flash Point: 126.585 °C; (18)Enthalpy of Vaporization: 53.745 kJ/mol; (19)Boiling Point: 297.587 °C at 760 mmHg; (20)Vapour Pressure: 0.001 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CCOC(=O)C1(CC2(C1)COC2)C(=O)OCC
(2)InChI: InChI=1/C12H18O5/c1-3-16-9(13)12(10(14)17-4-2)5-11(6-12)7-15-8-11/h3-8H2,1-2H3
(3)InChIKey: GSVZVHAUSWYWOS-UHFFFAOYAX