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Details

Stereochemistry MIXED
Molecular Formula C29H44O2
Molecular Weight 424.6585
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of [3,3-Bis[(1,5-dimethyl-1-vinyl-4-hexenyl)oxy]propyl]benzene

SMILES

CC(C)=CCCC(C)(OC(CCC1=CC=CC=C1)OC(C)(CCC=C(C)C)C=C)C=C

InChI

InChIKey=AKQBPDWFCDLKKL-UHFFFAOYSA-N
InChI=1S/C29H44O2/c1-9-28(7,22-14-16-24(3)4)30-27(21-20-26-18-12-11-13-19-26)31-29(8,10-2)23-15-17-25(5)6/h9-13,16-19,27H,1-2,14-15,20-23H2,3-8H3

HIDE SMILES / InChI

Molecular Formula C29H44O2
Molecular Weight 424.6585
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 21:23:36 GMT 2025
Edited
by admin
on Wed Apr 02 21:23:36 GMT 2025
Record UNII
P6K4D29ULM
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3,3-Bis(3,7-dimethylocta-1,6-dien-3-yloxy)propylbenzene
Preferred Name English
[3,3-Bis[(1,5-dimethyl-1-vinyl-4-hexenyl)oxy]propyl]benzene
Systematic Name English
Benzene, [3,3-bis[(1-ethenyl-1,5-dimethyl-4-hexen-1-yl)oxy]propyl]-
Systematic Name English
Code System Code Type Description
FDA UNII
P6K4D29ULM
Created by admin on Wed Apr 02 21:23:36 GMT 2025 , Edited by admin on Wed Apr 02 21:23:36 GMT 2025
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CAS
85050-10-8
Created by admin on Wed Apr 02 21:23:36 GMT 2025 , Edited by admin on Wed Apr 02 21:23:36 GMT 2025
PRIMARY
EPA CompTox
DTXSID301005420
Created by admin on Wed Apr 02 21:23:36 GMT 2025 , Edited by admin on Wed Apr 02 21:23:36 GMT 2025
PRIMARY
PUBCHEM
3020316
Created by admin on Wed Apr 02 21:23:36 GMT 2025 , Edited by admin on Wed Apr 02 21:23:36 GMT 2025
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