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Details

Stereochemistry ACHIRAL
Molecular Formula C13H18O2
Molecular Weight 206.2808
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of BENZENE, (3,3-DIETHOXY-1-PROPEN-1-YL)-

SMILES

CCOC(OCC)\C=C\C1=CC=CC=C1

InChI

InChIKey=VYKDEWVAUWARRX-ZHACJKMWSA-N
InChI=1S/C13H18O2/c1-3-14-13(15-4-2)11-10-12-8-6-5-7-9-12/h5-11,13H,3-4H2,1-2H3/b11-10+

HIDE SMILES / InChI

Molecular Formula C13H18O2
Molecular Weight 206.2808
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 16:25:49 GMT 2025
Edited
by admin
on Tue Apr 01 16:25:49 GMT 2025
Record UNII
6Q5N5N1PGM
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-53852
Preferred Name English
BENZENE, (3,3-DIETHOXY-1-PROPEN-1-YL)-
Systematic Name English
BENZENE, (3,3-DIETHOXYPROPENYL)-
Systematic Name English
(3,3-DIETHOXY-1-PROPEN-1-YL)BENZENE
Systematic Name English
(3,3-DIETHOXY-1-PROPENYL)BENZENE
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID2064575
Created by admin on Tue Apr 01 16:25:49 GMT 2025 , Edited by admin on Tue Apr 01 16:25:49 GMT 2025
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NSC
53852
Created by admin on Tue Apr 01 16:25:49 GMT 2025 , Edited by admin on Tue Apr 01 16:25:49 GMT 2025
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FDA UNII
6Q5N5N1PGM
Created by admin on Tue Apr 01 16:25:49 GMT 2025 , Edited by admin on Tue Apr 01 16:25:49 GMT 2025
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CAS
7148-78-9
Created by admin on Tue Apr 01 16:25:49 GMT 2025 , Edited by admin on Tue Apr 01 16:25:49 GMT 2025
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PUBCHEM
5356250
Created by admin on Tue Apr 01 16:25:49 GMT 2025 , Edited by admin on Tue Apr 01 16:25:49 GMT 2025
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ECHA (EC/EINECS)
230-467-8
Created by admin on Tue Apr 01 16:25:49 GMT 2025 , Edited by admin on Tue Apr 01 16:25:49 GMT 2025
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