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Details

Stereochemistry ACHIRAL
Molecular Formula C8H14O
Molecular Weight 126.1962
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,2,4-Trimethyl-3-pentenal

SMILES

CC(C)=CC(C)(C)C=O

InChI

InChIKey=QJJLGDXUAXOUBP-UHFFFAOYSA-N
InChI=1S/C8H14O/c1-7(2)5-8(3,4)6-9/h5-6H,1-4H3

HIDE SMILES / InChI

Molecular Formula C8H14O
Molecular Weight 126.1962
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 13:16:02 UTC 2023
Edited
by admin
on Sat Dec 16 13:16:02 UTC 2023
Record UNII
92R9KNS8K2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,2,4-Trimethyl-3-pentenal
Systematic Name English
NSC-92370
Code English
3-Pentenal, 2,2,4-trimethyl-
Systematic Name English
Code System Code Type Description
PUBCHEM
260717
Created by admin on Sat Dec 16 13:16:02 UTC 2023 , Edited by admin on Sat Dec 16 13:16:02 UTC 2023
PRIMARY
CAS
5842-49-9
Created by admin on Sat Dec 16 13:16:02 UTC 2023 , Edited by admin on Sat Dec 16 13:16:02 UTC 2023
PRIMARY
EPA CompTox
DTXSID70293801
Created by admin on Sat Dec 16 13:16:02 UTC 2023 , Edited by admin on Sat Dec 16 13:16:02 UTC 2023
PRIMARY
FDA UNII
92R9KNS8K2
Created by admin on Sat Dec 16 13:16:02 UTC 2023 , Edited by admin on Sat Dec 16 13:16:02 UTC 2023
PRIMARY
NSC
92370
Created by admin on Sat Dec 16 13:16:02 UTC 2023 , Edited by admin on Sat Dec 16 13:16:02 UTC 2023
PRIMARY