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Details

Stereochemistry MIXED
Molecular Formula C21H42O3
Molecular Weight 342.5564
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BIS-PROPYLHEPTYL CARBONATE

SMILES

CCCCCC(CCC)COC(=O)OCC(CCC)CCCCC

InChI

InChIKey=ZXQZAGPPJDDWSM-UHFFFAOYSA-N
InChI=1S/C21H42O3/c1-5-9-11-15-19(13-7-3)17-23-21(22)24-18-20(14-8-4)16-12-10-6-2/h19-20H,5-18H2,1-4H3

HIDE SMILES / InChI

Molecular Formula C21H42O3
Molecular Weight 342.5564
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 10:17:09 GMT 2023
Edited
by admin
on Sat Dec 16 10:17:09 GMT 2023
Record UNII
W6KRW1503I
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BIS-PROPYLHEPTYL CARBONATE
Systematic Name English
CETIOL KE 4664
Brand Name English
1-HEPTANOL, 2-PROPYL-, 1,1'-CARBONATE
Systematic Name English
Code System Code Type Description
PUBCHEM
87573553
Created by admin on Sat Dec 16 10:17:09 GMT 2023 , Edited by admin on Sat Dec 16 10:17:09 GMT 2023
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FDA UNII
W6KRW1503I
Created by admin on Sat Dec 16 10:17:09 GMT 2023 , Edited by admin on Sat Dec 16 10:17:09 GMT 2023
PRIMARY
EPA CompTox
DTXSID00893676
Created by admin on Sat Dec 16 10:17:09 GMT 2023 , Edited by admin on Sat Dec 16 10:17:09 GMT 2023
PRIMARY
CAS
1238449-42-7
Created by admin on Sat Dec 16 10:17:09 GMT 2023 , Edited by admin on Sat Dec 16 10:17:09 GMT 2023
PRIMARY