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Details

Stereochemistry ABSOLUTE
Molecular Formula C8H18
Molecular Weight 114.2285
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,2,3-TRIMETHYLPENTANE, (S)-

SMILES

CC[C@H](C)C(C)(C)C

InChI

InChIKey=XTDQDBVBDLYELW-ZETCQYMHSA-N
InChI=1S/C8H18/c1-6-7(2)8(3,4)5/h7H,6H2,1-5H3/t7-/m0/s1

HIDE SMILES / InChI

Molecular Formula C8H18
Molecular Weight 114.2285
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:56:53 GMT 2023
Edited
by admin
on Sat Dec 16 10:56:53 GMT 2023
Record UNII
F6U9W1Z7WN
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,2,3-TRIMETHYLPENTANE, (S)-
Systematic Name English
(-)-2,2,3-TRIMETHYLPENTANE
Systematic Name English
(S)-2,2,3-TRIMETHYLPENTANE
Systematic Name English
PENTANE, 2,2,3-TRIMETHYL-, (S)-
Systematic Name English
PENTANE, 2,2,3-TRIMETHYL-, (3S)-
Systematic Name English
(S)-(-)-2,2,3-TRIMETHYLPENTANE
Systematic Name English
Code System Code Type Description
FDA UNII
F6U9W1Z7WN
Created by admin on Sat Dec 16 10:56:53 GMT 2023 , Edited by admin on Sat Dec 16 10:56:53 GMT 2023
PRIMARY
CAS
40824-48-4
Created by admin on Sat Dec 16 10:56:53 GMT 2023 , Edited by admin on Sat Dec 16 10:56:53 GMT 2023
PRIMARY
PUBCHEM
22810197
Created by admin on Sat Dec 16 10:56:53 GMT 2023 , Edited by admin on Sat Dec 16 10:56:53 GMT 2023
PRIMARY
EPA CompTox
DTXSID80628408
Created by admin on Sat Dec 16 10:56:53 GMT 2023 , Edited by admin on Sat Dec 16 10:56:53 GMT 2023
PRIMARY
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