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Details

Stereochemistry ABSOLUTE
Molecular Formula C10H16
Molecular Weight 136.234
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of .ALPHA.-THUJENE, (+)-

SMILES

CC(C)[C@]12C[C@H]1C(C)=CC2

InChI

InChIKey=KQAZVFVOEIRWHN-UWVGGRQHSA-N
InChI=1S/C10H16/c1-7(2)10-5-4-8(3)9(10)6-10/h4,7,9H,5-6H2,1-3H3/t9-,10-/m0/s1

HIDE SMILES / InChI

Molecular Formula C10H16
Molecular Weight 136.234
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 11:33:39 GMT 2023
Edited
by admin
on Sat Dec 16 11:33:39 GMT 2023
Record UNII
O47H0626QK
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
.ALPHA.-THUJENE, (+)-
Common Name English
(+)-.ALPHA.-THUJENE
Common Name English
(1S)-2-METHYL-5-(1-METHYLETHYL)BICYCLO(3.1.0)HEX-2-ENE
Systematic Name English
BICYCLO(3.1.0)HEX-2-ENE, 2-METHYL-5-(1-METHYLETHYL)-, (1S)
Systematic Name English
Code System Code Type Description
CAS
563-34-8
Created by admin on Sat Dec 16 11:33:39 GMT 2023 , Edited by admin on Sat Dec 16 11:33:39 GMT 2023
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PUBCHEM
12444324
Created by admin on Sat Dec 16 11:33:39 GMT 2023 , Edited by admin on Sat Dec 16 11:33:39 GMT 2023
PRIMARY
EPA CompTox
DTXSID30722248
Created by admin on Sat Dec 16 11:33:39 GMT 2023 , Edited by admin on Sat Dec 16 11:33:39 GMT 2023
PRIMARY
FDA UNII
O47H0626QK
Created by admin on Sat Dec 16 11:33:39 GMT 2023 , Edited by admin on Sat Dec 16 11:33:39 GMT 2023
PRIMARY