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79967-16-1 | Octadecanoic acid, 12-[(tetrahydro-2H-pyran-2-yl)oxy]-
CAS No: 79967-16-1 Catalog No: AG005EUC MDL No:
Product Description
Catalog Number:
AG005EUC
Chemical Name:
Octadecanoic acid, 12-[(tetrahydro-2H-pyran-2-yl)oxy]-
CAS Number:
79967-16-1
Molecular Formula:
C23H44O4
Molecular Weight:
384.5931
IUPAC Name:
12-(oxan-2-yloxy)octadecanoic acid
InChI:
InChI=1S/C23H44O4/c1-2-3-4-11-16-21(27-23-19-14-15-20-26-23)17-12-9-7-5-6-8-10-13-18-22(24)25/h21,23H,2-20H2,1H3,(H,24,25)
InChI Key:
JWOBFDOHCUOQSC-UHFFFAOYSA-N
SMILES:
CCCCCCC(OC1CCCCO1)CCCCCCCCCCC(=O)O
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
384.324g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
384.601g/mol
Monoisotopic Mass:
384.324g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
7.7
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