5,5-dimethyl-2-(2-m...

5,5-dimethyl-2-(2-methylpropyl)-1,3-dioxane(CAS No. 5455-65-2)

5,5-dimethyl-2-(2-methylpropyl)-1,3-dioxane(CAS No. 5455-65-2)

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5,5-dimethyl-2-(2-methylpropyl)-1,3-dioxane 5455-65-2 98%

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  • Appearance:Solid
  • Application:Organic Chemicals
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Details:

【Name】
5,5-dimethyl-2-(2-methylpropyl)-1,3-dioxane
【CAS Registry number】
5455-65-2
【Synonyms】
5,5-dimethyl-2-(2-methylpropyl)-1,3-dioxane
NSC23482
AC1L5HS7
AC1Q706J
AR-1G5923
NSC-23482
【Molecular Formula】
C10H20O2 (Products with the same molecular formula)
【Molecular Weight】
172.2646
【Inchi】
InChI=1/C10H20O2/c1-8(2)5-9-11-6-10(3,4)7-12-9/h8-9H,5-7H2,1-4H3
【Canonical SMILES】
CC(C)CC1OCC(CO1)(C)C
【MOL File】
5455-65-2.mol
Chemical and Physical Properties
【Density】
0.87g/cm3
【Boiling Point】
189.6°C at 760 mmHg
【Refractive Index】
1.414
【Flash Point】
65.5°C
【Computed Properties】
Molecular Weight:172.2646 [g/mol]
Molecular Formula:C10H20O2
XLogP3-AA:2.7
H-Bond Donor:0
H-Bond Acceptor:2
Rotatable Bond Count:2
Exact Mass:172.14633
MonoIsotopic Mass:172.14633
Topological Polar Surface Area:18.5
Heavy Atom Count:12
Formal Charge:0
Complexity:131
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:2
Feature 3D Hydrophobe Count:2
Feature 3D Ring Count:1
Effective Rotor Count:3.2
Conformer Sampling RMSD:0.6
CID Conformer Count:5

 

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