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31039-13-1 | Heptane, 2,2'-oxybis-
CAS No: 31039-13-1 Catalog No: AG0031YF MDL No:
Product Description
Catalog Number:
AG0031YF
Chemical Name:
Heptane, 2,2'-oxybis-
CAS Number:
31039-13-1
Molecular Formula:
C14H30O
Molecular Weight:
214.3874
IUPAC Name:
2-heptan-2-yloxyheptane
InChI:
InChI=1S/C14H30O/c1-5-7-9-11-13(3)15-14(4)12-10-8-6-2/h13-14H,5-12H2,1-4H3
InChI Key:
VIQBLZHDBUVBDS-UHFFFAOYSA-N
SMILES:
CCCCCC(OC(CCCCC)C)C
Properties
Complexity:
109
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.23g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.393g/mol
Monoisotopic Mass:
214.23g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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