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(-)-alpha-Thujene

PubChem CID: 637518

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Compound Synonyms (-)-alpha-Thujene, 3917-48-4, RN746W3HMX, alpha-Thujene, (-)-, UNII-RN746W3HMX, (1R,5S)-5-isopropyl-2-methylbicyclo[3.1.0]hex-2-ene, (-)-.ALPHA.-THUJENE, CHEBI:50033, Bicyclo(3.1.0)hex-2-ene, 2-methyl-5-(1-methylethyl)-, (1R)-, .ALPHA.-THUJENE, (-)-, 3-THUJENE, (1R,5R)-(-)-, (1R,5S)-2-methyl-5-(propan-2-yl)bicyclo[3.1.0]hex-2-ene (1R,5S)-thuj-2-ene, (1R,5S)-2-methyl-5-(propan-2-yl)bicyclo[3.1.0]hex-2-ene, (1R,5R)-2-METHYL-5-(1-METHYLETHYL)BICYCLO(3.1.0)HEX-2-ENE, BICYCLO(3.1.0)HEX-2-ENE, 2-METHYL-5-(1-METHYLETHYL)-, (1R,5R)-, (1R,5S)-5-Isopropyl-2-methylbicyclo(3.1.0)hex-2-ene, (1R,5S)-2-methyl-5-(propan-2-yl)bicyclo(3.1.0)hex-2-ene, trans-Thujene, (1R,5S)-2-methyl-5-(propan-2-yl)bicyclo(3.1.0)hex-2-ene (1R,5S)-thuj-2-ene, (-)-I+/--Thujene, (1R)-2-methyl-5-propan-2-ylbicyclo[3.1.0]hex-2-ene, KQAZVFVOEIRWHN-NXEZZACHSA-N, DTXSID001317501, LMPR0102120038, Q27121815
Topological Polar Surface Area 0.0
Hydrogen Bond Donor Count 0.0
Inchi Key KQAZVFVOEIRWHN-NXEZZACHSA-N
Rotatable Bond Count 1.0
Heavy Atom Count 10.0
Compound Name (-)-alpha-Thujene
Exact Mass 136.125
Formal Charge 0.0
Brenk Violation True
Monoisotopic Mass 136.125
Isotope Atom Count 0.0
Molecular Complexity 188.0
Hydrogen Bond Acceptor Count 0.0
Molecular Weight 136.23
Database Name npass_chem_all;pubchem
Covalent Unit Count 1.0
Defined Atom Stereocenter Count 2.0
Iupac Name (1R)-2-methyl-5-propan-2-ylbicyclo[3.1.0]hex-2-ene
Total Atom Stereocenter Count 2.0
Nih Violation False
Total Bond Stereocenter Count 0.0
Inchi InChI=1S/C10H16/c1-7(2)10-5-4-8(3)9(10)6-10/h4,7,9H,5-6H2,1-3H3/t9-,10-/m1/s1
Smiles CC1=CC[C@]2([C@@H]1C2)C(C)C
Xlogp 2.8
Is Pains False
Defined Bond Stereocenter Count 0.0
Molecular Formula C10H16