CYCLOHEXENE, 1-ETHOXY-4-(1-ETHOXYETHENYL)-3,3,5,5-TETRAMETHYL-

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Keyword(s): Human Metabolites
Molecule Category Free-form
UNII NTJ9ZB2QZ9
EPA CompTox DTXSID60865814

Structure

InChI Key FECJTTMWFXVFRG-UHFFFAOYSA-N
Smiles CCOC(=C)C1C(C)(C)CC(=CC1(C)C)OCC
InChI
InChI=1S/C16H28O2/c1-8-17-12(3)14-15(4,5)10-13(18-9-2)11-16(14,6)7/h10,14H,3,8-9,11H2,1-2,4-7H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H28O2
Molecular Weight 252.21
AlogP 4.53
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 18.46
Heavy Atoms 18.0

Cross References

Resources Reference
CAS NUMBER 36306-86-2
NORMAN SUSDAT
FDA SRS NTJ9ZB2QZ9
PubChem 118291
ChemSpider 105720.0
CONTENTS