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102680-34-2 | 2-Pentadecanol, 3,7-dimethyl-, (2R,3R,7R)-rel-
CAS No: 102680-34-2 Catalog No: AG000849 MDL No:
Product Description
Catalog Number:
AG000849
Chemical Name:
2-Pentadecanol, 3,7-dimethyl-, (2R,3R,7R)-rel-
CAS Number:
102680-34-2
Molecular Formula:
C17H36O
Molecular Weight:
256.4671
IUPAC Name:
(2R,3R,7R)-3,7-dimethylpentadecan-2-ol
InChI:
InChI=1S/C17H36O/c1-5-6-7-8-9-10-12-15(2)13-11-14-16(3)17(4)18/h15-18H,5-14H2,1-4H3/t15-,16-,17-/m1/s1
InChI Key:
VCMNTYQFWXTWTL-BRWVUGGUSA-N
SMILES:
CCCCCCCC[C@H](CCC[C@H]([C@H](O)C)C)C
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
256.277g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
256.474g/mol
Monoisotopic Mass:
256.277g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.3
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