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ScientificNameLabel
p-menth-1-en-9-al
PHCD compound ID : 4806
Chemical Names :
p-menth-1-en-9-al
Molecular Formula : C10H16O1
Molecular Weight : 152.120115
More Details :
Names & Synonyms: 2-(4-methylcyclohex-3-en-1-yl)propanal , 2-(4-methyl-1-cyclohex-3-enyl)propanal , 2-(4-methylcyclohex-3-en-1-yl)propionaldehyde
Smiles: O=C[C@@H]([C@H]1CCC(=CC1)C)C
InChi : InChI=1S/C10H16O/c1-8-3-5-10(6-4-8)9(2)7-11/h3,7,9-10H,4-6H2,1-2H3/t9-,10+/m0/s1
InChi Key : InChIKey=UMEJBWOWZDRULR-VHSXEESVSA-N
PubChem ID : 520440
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.319578
Hydrogen bond donor count : 0 Electric dipole moment : 3.540
XLogP : 2.87 VDW volume : 172.677156
Molecular weight : 152.120115 HOMO-LUMO gap : 10.065000
Herb list :
Refrences & Litretures:
  
777.      Journal:'Molecules'      Year:'2009'      Volume:'14'      Page:'1438'      DOI:'10.3390/molecules14041438'      Title:'Chemical Composition and Biological Activities of Essential Oil from Salvia sclarea Plants Regenerated in vitro'
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