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87519-36-6 | 3-Dodecyn-1-ol, 11-[(2-methoxyethoxy)methoxy]-, (R)-
CAS No: 87519-36-6 Catalog No: AG004DJA MDL No:
Product Description
Catalog Number:
AG004DJA
Chemical Name:
3-Dodecyn-1-ol, 11-[(2-methoxyethoxy)methoxy]-, (R)-
CAS Number:
87519-36-6
Molecular Formula:
C16H30O4
Molecular Weight:
286.4070
IUPAC Name:
(11R)-11-(2-methoxyethoxymethoxy)dodec-3-yn-1-ol
InChI:
InChI=1S/C16H30O4/c1-16(20-15-19-14-13-18-2)11-9-7-5-3-4-6-8-10-12-17/h16-17H,3-5,7,9-15H2,1-2H3/t16-/m1/s1
InChI Key:
ZSCGVEAHLSCROD-MRXNPFEDSA-N
SMILES:
COCCOCO[C@@H](CCCCCCC#CCCO)C
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
286.214g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
286.412g/mol
Monoisotopic Mass:
286.214g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
47.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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