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ScientificNameLabel
cis-p-Menthenediol(isomer)
PHCD compound ID : 906
Chemical Names :
cis-p-Menthenediol(isomer)
Molecular Formula : C10H20O2
Molecular Weight : 172.14633
More Details :
Names & Synonyms: (1S,2R,5R)-2-(1-hydroxy-1-methyl-ethyl)-5-methyl-cyclohexanol , (1S,2R,5R)-2-(2-hydroxypropan-2-yl)-5-methyl-1-cyclohexanol , (1S,2R,5R)-2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol , (1S,2R,5R)-5-methyl-2-(2-oxidanylpropan-2-yl)cyclohexan-1-ol
Smiles: C[C@@H]1CC[C@H]([C@H](C1)O)C(O)(C)C
InChi : InChI=1S/C10H20O2/c1-7-4-5-8(9(11)6-7)10(2,3)12/h7-9,11-12H,4-6H2,1-3H3/t7-,8-,9+/m1/s1
InChi Key : InChIKey=LMXFTMYMHGYJEI-HLTSFMKQSA-N
PubChem ID : 9920491
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.808096
Hydrogen bond donor count : 2 Electric dipole moment : 3.463
XLogP : 2.308 VDW volume : 186.7403
Molecular weight : 172.14633 HOMO-LUMO gap : 12.411000
Herb list :
Refrences & Litretures:
  
74.      Journal:'Food Chemistry'      Year:'1998'      Volume:'63'      Page:'373'      DOI:''      Title:'Study of the composition of the different parts of a Spanish Thymes vulgaris L. plant'
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