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ScientificNameLabel
neoisodihydrocarveol
PHCD compound ID : 4628
Chemical Names :
neoisodihydrocarveol
Molecular Formula : C10H18O1
Molecular Weight : 154.135765
More Details :
Names & Synonyms: (1R,2S,5R)-5-isopropenyl-2-methyl-cyclohexanol , (1R,2S,5R)-2-methyl-5-(1-methylethenyl)-1-cyclohexanol , (1R,2S,5R)-2-methyl-5-prop-1-en-2-ylcyclohexan-1-ol , (1R,2S,5R)-2-methyl-5-prop-1-en-2-yl-cyclohexan-1-ol
Smiles: CC(=C)[C@@H]1CC[C@@H]([C@@H](C1)O)C
InChi : InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)10(11)6-9/h8-11H,1,4-6H2,2-3H3/t8-,9+,10+/m0/s1
InChi Key : InChIKey=KRCZYMFUWVJCLI-IVZWLZJFSA-N
PubChem ID : 443166
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.733207
Hydrogen bond donor count : 1 Electric dipole moment : 2.194
XLogP : 2.395 VDW volume : 175.313614
Molecular weight : 154.135765 HOMO-LUMO gap : 10.927000
Herb list :
Refrences & Litretures:
  
718.      Journal:'J. Agric. Food Chem'      Year:'1998'      Volume:'46'      Page:'1739'      DOI:'10.1021/jf9708296'      Title:'Antifungal Activities of Origanum vulgare subsp. hirtum, Mentha spicata, Lavandula angustifolia, and Salvia fruticosa Essential Oils against Human Pathogenic Fungi'
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