2,4,8-TRIMETHYL-7-NONEN-2-OL

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Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 2186U8K08B
EPA CompTox DTXSID60963107

Structure

InChI Key QRDZETOZNQTTCN-UHFFFAOYSA-N
Smiles CC(CCC=C(C)C)CC(C)(C)O
InChI
InChI=1S/C12H24O/c1-10(2)7-6-8-11(3)9-12(4,5)13/h7,11,13H,6,8-9H2,1-5H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H24O1
Molecular Weight 184.18
AlogP 3.53
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 20.23
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 437770-28-0
NORMAN SUSDAT
FDA SRS 2186U8K08B
CONTENTS