2-Thujene, (1R,4S,5R)-(+)-
Basic information
- CAS
18767-59-4- Standard SMILES
CC(C)[C@]12C=C[C@H](C)[C@H]1C2- InChIKey
GJYKUZUTZNTBEC-IVZWLZJFSA-N- Molecular formula
- C10H16
- Average molar mass
- 136.23 g/mol
- Monoisotopic mass
- 136.12520051
Names & identifiers
- Preferred name
- 2-Thujene, (1R,4S,5R)-(+)-
- IUPAC
- (1R,4S,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hex-2-ene
Names & synonyms
(+)-beta-Thujene23V0D68W8Vbeta-Thujene, (+)-2-Thujene, (1R,4S,5R)-(+)-UNII-23V0D68W8VBicyclo(3.1.0)hex-2-ene, 4-methyl-1-(1-methylethyl)-, (1R,4S,5R)-18767-59-4.beta.-Thujene2-ThujeneBicyclo(3.1.0)hex-2-ene, 4-methyl-1-(1-methylethyl)-, (1R-(1alpha,4alpha,5alpha))- (1R,4S,5R)-4-methyl-1-(1-methylethyl)bicyclo(3.1.0)hex-2-ene(+)-.BETA.-THUJENE.BETA.-THUJENE, (+)-
Show more names
.BETA.-THUJENE, (+/-)-BICYCLO[3.1.0]HEXANE,4-METHYLENE-1(1-METHYLETHYL)-BICYCLO(3.1.0)HEX-2-ENE, 4-METHYL-1-(1-METHYLETHYL)-, (1R-(1.ALPHA.,4.ALPHA.,5.ALPHA.))- (1R,4S,5R)-4-METHYL-1-(1-METHYLETHYL)BICYCLO(3.1.0)HEX-2-ENE
Database identifiers
- CAS
18767-59-4、28634-89-1- PubChem CID
- 97046700
- UNII
- 23V0D68W8V、6530SNR9KD
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 178
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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