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114174-42-4 | 1,4,10,13-Tetraoxa-7-thiacyclohexadecane, 15-dodecyl-
CAS No: 114174-42-4 Catalog No: AG000AQT MDL No:
Product Description
Catalog Number:
AG000AQT
Chemical Name:
1,4,10,13-Tetraoxa-7-thiacyclohexadecane, 15-dodecyl-
CAS Number:
114174-42-4
Molecular Formula:
C23H46O4S
Molecular Weight:
418.6739
IUPAC Name:
15-dodecyl-1,4,10,13-tetraoxa-7-thiacyclohexadecane
InChI:
InChI=1S/C23H46O4S/c1-2-3-4-5-6-7-8-9-10-11-12-23-21-26-15-13-24-17-19-28-20-18-25-14-16-27-22-23/h23H,2-22H2,1H3
InChI Key:
HUOOACSTFDQVRG-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCC1COCCOCCSCCOCCOC1
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
418.312g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
418.677g/mol
Monoisotopic Mass:
418.312g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
62.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.6
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