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Details

Stereochemistry RACEMIC
Molecular Formula C10H16
Molecular Weight 136.2344
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

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

SMILES

CC(C)[C@]12CC=C(C)[C@]2([H])C1

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 136.2344
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 Jun 26 09:29:32 UTC 2021
Edited
by admin
on Sat Jun 26 09:29:32 UTC 2021
Record UNII
U9HIP11C7C
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
.ALPHA.-THUJENE, (+/-)-
Common Name English
ORIGANENE
Common Name English
.ALPHA.-THUJENE
Common Name English
2-METHYL-5-ISOPROPYLBICYCLO(3.1.0)-2-HEXENE
Common Name English
BICYCLO(3.1.0)HEX-2-ENE, 2-METHYL-5-(1-METHYLETHYL)-
Systematic Name English
THUJIENE
Common Name English
Code System Code Type Description
CAS
2867-05-2
Created by admin on Sat Jun 26 09:29:32 UTC 2021 , Edited by admin on Sat Jun 26 09:29:32 UTC 2021
PRIMARY
ECHA (EC/EINECS)
220-686-7
Created by admin on Sat Jun 26 09:29:32 UTC 2021 , Edited by admin on Sat Jun 26 09:29:32 UTC 2021
PRIMARY
FDA UNII
U9HIP11C7C
Created by admin on Sat Jun 26 09:29:32 UTC 2021 , Edited by admin on Sat Jun 26 09:29:32 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> CONSTITUENT ALWAYS PRESENT
Monoterpene Class