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Details

Stereochemistry ACHIRAL
Molecular Formula C8H12
Molecular Weight 108.1809
Optical Activity NONE
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TRICYCLO(5.1.0.03,5)OCTANE, (1.ALPHA.,3.BETA.,5.BETA.,7.ALPHA.)-

SMILES

C1[C@H]2C[C@@H]3C[C@@H]3C[C@@H]12

InChI

InChIKey=YZFVTGCKLQCIFB-KVFPUHGPSA-N
InChI=1S/C8H12/c1-5-3-7-2-8(7)4-6(1)5/h5-8H,1-4H2/t5-,6+,7-,8+

HIDE SMILES / InChI

Molecular Formula C8H12
Molecular Weight 108.1809
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 12:18:58 GMT 2025
Edited
by admin
on Wed Apr 02 12:18:58 GMT 2025
Record UNII
48JQH4BYT8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TRICYCLO(5.1.0.03,5)OCTANE, (1.ALPHA.,3.BETA.,5.BETA.,7.ALPHA.)-
Systematic Name English
REL-(1R,3R,5S,7S)-TRICYCLO(5.1.0.03,5)OCTANE
Preferred Name English
TRICYCLO(5.1.0.03,5)OCTANE, (1R,3R,5S,7S)-REL-
Systematic Name English
Code System Code Type Description
CAS
62777-48-4
Created by admin on Wed Apr 02 12:18:58 GMT 2025 , Edited by admin on Wed Apr 02 12:18:58 GMT 2025
PRIMARY
FDA UNII
48JQH4BYT8
Created by admin on Wed Apr 02 12:18:58 GMT 2025 , Edited by admin on Wed Apr 02 12:18:58 GMT 2025
PRIMARY
PUBCHEM
12579394
Created by admin on Wed Apr 02 12:18:58 GMT 2025 , Edited by admin on Wed Apr 02 12:18:58 GMT 2025
PRIMARY