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123219-92-1 | Oxirane, 2-(16-heptadecen-1-yl)-3-octyl-
CAS No: 123219-92-1 Catalog No: AG000K6L MDL No:
Product Description
Catalog Number:
AG000K6L
Chemical Name:
Oxirane, 2-(16-heptadecen-1-yl)-3-octyl-
CAS Number:
123219-92-1
Molecular Formula:
C27H52O
Molecular Weight:
392.7012
IUPAC Name:
2-heptadec-16-enyl-3-octyloxirane
InChI:
InChI=1S/C27H52O/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-21-23-25-27-26(28-27)24-22-20-10-8-6-4-2/h3,26-27H,1,4-25H2,2H3
InChI Key:
HAJXYNAWJBOBCA-UHFFFAOYSA-N
SMILES:
CCCCCCCCC1OC1CCCCCCCCCCCCCCCC=C
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
392.402g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
392.712g/mol
Monoisotopic Mass:
392.402g/mol
Rotatable Bond Count:
23
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
12.3
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