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913183-57-0 | 1-Pentanol, 5-iodo-2,4-dimethyl-, (2S,4R)-
CAS No: 913183-57-0 Catalog No: AG006OTU MDL No:
Product Description
Catalog Number:
AG006OTU
Chemical Name:
1-Pentanol, 5-iodo-2,4-dimethyl-, (2S,4R)-
CAS Number:
913183-57-0
Molecular Formula:
C7H15IO
Molecular Weight:
242.0979
IUPAC Name:
(2S,4R)-5-iodo-2,4-dimethylpentan-1-ol
InChI:
InChI=1S/C7H15IO/c1-6(4-8)3-7(2)5-9/h6-7,9H,3-5H2,1-2H3/t6-,7+/m1/s1
InChI Key:
DOZXIMGRZSFOPF-RQJHMYQMSA-N
SMILES:
OC[C@H](C[C@H](CI)C)C
Properties
Complexity:
65.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
242.017g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
242.1g/mol
Monoisotopic Mass:
242.017g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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