(2S,4R)-(-)-2,4-DIMETHYLHEPTAN-1-OL

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Keyword(s): Human Metabolites
Molecule Category Free-form

Structure

InChI Key HVRFWRROUIDGQO-BDAKNGLRSA-N
Smiles CCC[C@@H](C)C[C@H](C)CO
InChI
InChI=1/C9H20O/c1-4-5-8(2)6-9(3)7-10/h8-10H,4-7H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H20O
Molecular Weight 144.15
AlogP 2.44
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 20.23
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 18450-74-3
NORMAN SUSDAT
CONTENTS