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25925-01-3 | 1,3-Dioxane, 2,5-bis(1-methylethyl)-, trans-
CAS No: 25925-01-3 Catalog No: AG002R3L MDL No:
Product Description
Catalog Number:
AG002R3L
Chemical Name:
1,3-Dioxane, 2,5-bis(1-methylethyl)-, trans-
CAS Number:
25925-01-3
Molecular Formula:
C10H20O2
Molecular Weight:
172.2646
IUPAC Name:
2,5-di(propan-2-yl)-1,3-dioxane
InChI:
InChI=1S/C10H20O2/c1-7(2)9-5-11-10(8(3)4)12-6-9/h7-10H,5-6H2,1-4H3
InChI Key:
YAISJNQHUBKIPN-UHFFFAOYSA-N
SMILES:
CC([C@@H]1OC[C@H](CO1)C(C)C)C
Properties
Complexity:
124
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.146g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.268g/mol
Monoisotopic Mass:
172.146g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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