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Details

Stereochemistry ACHIRAL
Molecular Formula C7H8O3.C6H15N
Molecular Weight 241.3266
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of DIISOPROPYLAMINE 2-OXOCYCLOPENTYLIDENEACETATE, (2E)-

SMILES

CC(C)NC(C)C.OC(=O)\C=C1/CCCC1=O

InChI

InChIKey=OXSTVDGSFYEIGL-FXRZFVDSSA-N
InChI=1S/C7H8O3.C6H15N/c8-6-3-1-2-5(6)4-7(9)10;1-5(2)7-6(3)4/h4H,1-3H2,(H,9,10);5-7H,1-4H3/b5-4+;

HIDE SMILES / InChI

Molecular Formula C6H15N
Molecular Weight 101.19
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C7H8O3
Molecular Weight 140.1366
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 Fri Dec 15 19:03:20 UTC 2023
Edited
by admin
on Fri Dec 15 19:03:20 UTC 2023
Record UNII
99PS90I2UM
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DIISOPROPYLAMINE 2-OXOCYCLOPENTYLIDENEACETATE, (2E)-
Common Name English
ACETIC ACID, 2-(2-OXOCYCLOPENTYLIDENE)-, (2E)-, COMPD. WITH N-(1-METHYLETHYL)-2-PROPANAMINE (1:1)
Common Name English
2-OXOCYCLOPENTYLIDENEACETIC ACID DIISOPROPYLAMINE SALT, (2E)-
Common Name English
(2E)-(2-OXOCYCLOPENTYLIDENE) ACETIC ACID DIISOPROPYLAMINE SALT
Common Name English
Code System Code Type Description
FDA UNII
99PS90I2UM
Created by admin on Fri Dec 15 19:03:20 UTC 2023 , Edited by admin on Fri Dec 15 19:03:20 UTC 2023
PRIMARY
PUBCHEM
71587946
Created by admin on Fri Dec 15 19:03:20 UTC 2023 , Edited by admin on Fri Dec 15 19:03:20 UTC 2023
PRIMARY
CAS
1206547-75-2
Created by admin on Fri Dec 15 19:03:20 UTC 2023 , Edited by admin on Fri Dec 15 19:03:20 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE