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Details

Stereochemistry ABSOLUTE
Molecular Formula C6H10O2
Molecular Weight 114.1424
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-METHYL-4-PENTANOLIDE, (3R,4R)-

SMILES

C[C@@H]1CC(=O)O[C@@H]1C

InChI

InChIKey=PXIPZIPSDBXFQR-RFZPGFLSSA-N
InChI=1S/C6H10O2/c1-4-3-6(7)8-5(4)2/h4-5H,3H2,1-2H3/t4-,5-/m1/s1

HIDE SMILES / InChI

Molecular Formula C6H10O2
Molecular Weight 114.1424
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:06:48 UTC 2023
Edited
by admin
on Sat Dec 16 08:06:48 UTC 2023
Record UNII
1TYE0CWU3B
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-METHYL-4-PENTANOLIDE, (3R,4R)-
Common Name English
(3R,4R)-3-METHYL-4-PENTANOLIDE, (+)-
Common Name English
2(3H)-FURANONE, DIHYDRO-4,5-DIMETHYL-, (4R-CIS)-
Systematic Name English
2(3H)-FURANONE, DIHYDRO-4,5-DIMETHYL-, (4R,5R)-
Systematic Name English
(3R,4R)-3-METHYL-4-PENTANOLIDE
Common Name English
Code System Code Type Description
PUBCHEM
11040662
Created by admin on Sat Dec 16 08:06:48 UTC 2023 , Edited by admin on Sat Dec 16 08:06:48 UTC 2023
PRIMARY
CAS
90026-55-4
Created by admin on Sat Dec 16 08:06:48 UTC 2023 , Edited by admin on Sat Dec 16 08:06:48 UTC 2023
PRIMARY
FDA UNII
1TYE0CWU3B
Created by admin on Sat Dec 16 08:06:48 UTC 2023 , Edited by admin on Sat Dec 16 08:06:48 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> CONSTITUENT ALWAYS PRESENT
Oriental tobacco is a sun-cured, highly aromatic, small-leafed variety (Nicotiana tabacum) that is grown in Turkey, Greece, Bulgaria, Lebanon, and the Republic of Macedonia. https://en.wikipedia.org/wiki/Types_of_tobacco