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Details

Stereochemistry RACEMIC
Molecular Formula C13H18O3
Molecular Weight 222.2802
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 1-(3,4-DIHYDROXYPHENYL)-4,4-DIMETHYL-1-PENTEN-3-OL

SMILES

CC(C)(C)C(O)\C=C\C1=CC(O)=C(O)C=C1

InChI

InChIKey=BUCYIZKIFHMFOW-FNORWQNLSA-N
InChI=1S/C13H18O3/c1-13(2,3)12(16)7-5-9-4-6-10(14)11(15)8-9/h4-8,12,14-16H,1-3H3/b7-5+

HIDE SMILES / InChI

Molecular Formula C13H18O3
Molecular Weight 222.2802
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 1
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:20:04 UTC 2023
Edited
by admin
on Sat Dec 16 08:20:04 UTC 2023
Record UNII
8DW74NE7UU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-(3,4-DIHYDROXYPHENYL)-4,4-DIMETHYL-1-PENTEN-3-OL
Systematic Name English
BRN 2262937
Code English
LS-136426
Code English
4-(4,4-DIMETHYL-3-HYDROXY-1-PENTENYL)PYROCATECHOL
Systematic Name English
SURECN12336486
Code English
PYROCATECHOL, 4-(4,4-DIMETHYL-3-HYDROXY-1-PENTENYL)-
Systematic Name English
AC1O6554
Code English
4-((E)-3-HYDROXY-4,4-DIMETHYLPENT-1-ENYL)BENZENE-1,2-DIOL
Systematic Name English
1,2-BENZENEDIOL, 4-(3-HYDROXY-4,4-DIMETHYL-1-PENTENYL)-
Systematic Name English
1,2-BENZENEDIOL, 4-(3-HYDROXY-4,4-DIMETHYL-1-PENTEN-1-YL)-
Systematic Name English
STIRIPENTOL METABOLITE II
Common Name English
Code System Code Type Description
FDA UNII
8DW74NE7UU
Created by admin on Sat Dec 16 08:20:04 UTC 2023 , Edited by admin on Sat Dec 16 08:20:04 UTC 2023
PRIMARY
PUBCHEM
6446800
Created by admin on Sat Dec 16 08:20:04 UTC 2023 , Edited by admin on Sat Dec 16 08:20:04 UTC 2023
PRIMARY
CAS
66596-49-4
Created by admin on Sat Dec 16 08:20:04 UTC 2023 , Edited by admin on Sat Dec 16 08:20:04 UTC 2023
PRIMARY
Related Record Type Details
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