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102616-16-0 | Dodecanoic acid, 2-hydroxy-3,7,11-trimethyl-, methyl ester, (2R,3S,7S)-rel-
CAS No: 102616-16-0 Catalog No: AG0007XT MDL No:
Product Description
Catalog Number:
AG0007XT
Chemical Name:
Dodecanoic acid, 2-hydroxy-3,7,11-trimethyl-, methyl ester, (2R,3S,7S)-rel-
CAS Number:
102616-16-0
Molecular Formula:
C16H32O3
Molecular Weight:
272.4235
IUPAC Name:
methyl (2R,3S,7S)-2-hydroxy-3,7,11-trimethyldodecanoate
InChI:
InChI=1S/C16H32O3/c1-12(2)8-6-9-13(3)10-7-11-14(4)15(17)16(18)19-5/h12-15,17H,6-11H2,1-5H3/t13-,14-,15+/m0/s1
InChI Key:
COVFNWPQWWPXCN-SOUVJXGZSA-N
SMILES:
COC(=O)[C@@H]([C@H](CCC[C@H](CCCC(C)C)C)C)O
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
272.235g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
272.429g/mol
Monoisotopic Mass:
272.235g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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