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Details

Stereochemistry MIXED
Molecular Formula C10H18O2
Molecular Weight 170.2487
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-HYDROXY-2,2,4-TRIMETHYLHEPTANOIC ACID BETA-LACTONE

SMILES

CCCC(C)C1OC(=O)C1(C)C

InChI

InChIKey=YQQGTMIMGKGIMY-UHFFFAOYSA-N
InChI=1S/C10H18O2/c1-5-6-7(2)8-10(3,4)9(11)12-8/h7-8H,5-6H2,1-4H3

HIDE SMILES / InChI

Molecular Formula C10H18O2
Molecular Weight 170.2487
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 Sat Dec 16 10:05:47 GMT 2023
Edited
by admin
on Sat Dec 16 10:05:47 GMT 2023
Record UNII
H176A2F11O
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-HYDROXY-2,2,4-TRIMETHYLHEPTANOIC ACID BETA-LACTONE
Common Name English
3,3-DIMETHYL-4-(1-METHYLBUTYL)-2-OXETANONE
Systematic Name English
2-OXETANONE, 3,3-DIMETHYL-4-(1-METHYLBUTYL)-
Systematic Name English
Code System Code Type Description
FDA UNII
H176A2F11O
Created by admin on Sat Dec 16 10:05:47 GMT 2023 , Edited by admin on Sat Dec 16 10:05:47 GMT 2023
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CAS
18523-60-9
Created by admin on Sat Dec 16 10:05:47 GMT 2023 , Edited by admin on Sat Dec 16 10:05:47 GMT 2023
PRIMARY
EPA CompTox
DTXSID00939947
Created by admin on Sat Dec 16 10:05:47 GMT 2023 , Edited by admin on Sat Dec 16 10:05:47 GMT 2023
PRIMARY
PUBCHEM
167726
Created by admin on Sat Dec 16 10:05:47 GMT 2023 , Edited by admin on Sat Dec 16 10:05:47 GMT 2023
PRIMARY