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102616-17-1 | Dodecanoic acid, 2,6-dihydroxy-3,7,11-trimethyl-, methyl ester, (2R,3S,6R,7S)-rel-
CAS No: 102616-17-1 Catalog No: AG0007XS MDL No:
Product Description
Catalog Number:
AG0007XS
Chemical Name:
Dodecanoic acid, 2,6-dihydroxy-3,7,11-trimethyl-, methyl ester, (2R,3S,6R,7S)-rel-
CAS Number:
102616-17-1
Molecular Formula:
C16H32O4
Molecular Weight:
288.4229
IUPAC Name:
methyl (2R,3S,6R,7S)-2,6-dihydroxy-3,7,11-trimethyldodecanoate
InChI:
InChI=1S/C16H32O4/c1-11(2)7-6-8-12(3)14(17)10-9-13(4)15(18)16(19)20-5/h11-15,17-18H,6-10H2,1-5H3/t12-,13-,14+,15+/m0/s1
InChI Key:
YRUDMAPQZPIUIL-BYNSBNAKSA-N
SMILES:
COC(=O)[C@@H]([C@H](CC[C@H]([C@H](CCCC(C)C)C)O)C)O
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
288.23g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
288.428g/mol
Monoisotopic Mass:
288.23g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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