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Compound: 5546
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References: 992
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(+)Sabinene
ScientificNameLabel
(+)Sabinene
PHCD compound ID :
4551
Chemical Names :
(+)Sabinene
Molecular Formula :
C10H16
Molecular Weight :
136.125201
More Details :
Names & Synonyms:
(1R,5R)-1-isopropyl-4-methylene-bicyclo[3.1.0]hexane , (1R,5R)-4-methylene-1-propan-2-ylbicyclo[3.1.0]hexane , (1R,5R)-4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexane , (1R,5R)-4-methylidene-1-propan-2-yl-bicyclo[3.1.0]hexane
Smiles:
C=C1CC[C@]2([C@@H]1C2)C(C)C
InChi :
InChI=1S/C10H16/c1-7(2)10-5-4-8(3)9(10)6-10/h7,9H,3-6H2,1-2H3/t9-,10-/m1/s1
InChi Key :
InChIKey=NDVASEGYNIMXJL-NXEZZACHSA-N
PubChem ID :
10887971
Rotatable bond count :
1
Rule of five :
0
Hydrogen bond acceptor count :
0
Ionization potential :
9.502100
Hydrogen bond donor count :
0
Electric dipole moment :
1.149
XLogP :
4.222
VDW volume :
154.166929
Molecular weight :
136.125201
HOMO-LUMO gap :
10.631000
Herb list :
Sage, Garden sage - Salvia officinalis - مریم گلی باغی، مریم گلی دارویی
Refrences & Litretures:
691. Journal:'Journal of Essential Oil Bearing Plants' Year:'2011' Volume:'14' Page:'89' DOI:'10.1080/0972060X.2011.10643905' Title:'Chemical Composition of Salvia officinalis Essential oil of Libya'
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