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68860-50-4

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Basic Information
CAS No.: 68860-50-4
Name: 4-(dimethoxymethyl)-1,1-dimethoxypentane
Molecular Structure:
Molecular Structure of 68860-50-4 (4-(dimethoxymethyl)-1,1-dimethoxypentane)
Formula: C10H22O4
Molecular Weight: 206.28
Synonyms: Pentane,4-(dimethoxymethyl)-1,1-dimethoxy- (9CI);1,1,5,5-Tetramethoxy-2-methylpentane;4-(Dimethoxymethyl)-1,1-dimethoxypentane;
EINECS: 272-516-6
Density: 0.936 g/cm3
Boiling Point: 235.2 °C at 760 mmHg
Flash Point: 62.2 °C
PSA: 36.92000
LogP: 1.64050
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Specification

The Pentane,1,1,5,5-tetramethoxy-2-methyl-, with the CAS registry number 68860-50-4, is also known as 4-(Dimethoxymethyl)-1,1-dimethoxypentane. This chemical's molecular formula is C10H22O4 and molecular weight is 206.28. What's more, its systematic name is 1,1,5,5-Tetramethoxy-2-methylpentane and its EINECS number is 272-516-6.

Physical properties of Pentane,1,1,5,5-tetramethoxy-2-methyl- are: (1)ACD/LogP: 0.29; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.29; (4)ACD/LogD (pH 7.4): 0.29; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 34.15; (8)ACD/KOC (pH 7.4): 34.15; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 36.92 Å2; (13)Index of Refraction: 1.415; (14)Molar Refractivity: 55.23 cm3; (15)Molar Volume: 220.1 cm3; (16)Polarizability: 21.89×10-24 cm3; (17)Surface Tension: 26.7 dyne/cm; (18)Density: 0.936 g/cm3; (19)Flash Point: 62.2 °C; (20)Enthalpy of Vaporization: 45.28 kJ/mol; (21)Boiling Point: 235.2 °C at 760 mmHg; (22)Vapour Pressure: 0.0776 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(CCC(OC)OC)C(OC)OC
(2)InChI: InChI=1S/C10H22O4/c1-8(10(13-4)14-5)6-7-9(11-2)12-3/h8-10H,6-7H2,1-5H3
(3)InChIKey: JBEZZHPFGNHYEV-UHFFFAOYSA-N