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ScientificNameLabel
2,4-Dimethyl-1-heptanol
PHCD compound ID : 221
Chemical Names :
2,4-Dimethyl-1-heptanol
Molecular Formula : C9H20O1
Molecular Weight : 144.151415
More Details :
Names & Synonyms: 2,4-dimethylheptan-1-ol , 2,4-dimethyl-1-heptanol
Smiles: CCC[C@H](C[C@H](CO)C)C
InChi : InChI=1S/C9H20O/c1-4-5-8(2)6-9(3)7-10/h8-10H,4-7H2,1-3H3/t8-,9-/m1/s1
InChi Key : InChIKey=HVRFWRROUIDGQO-RKDXNWHRSA-N
PubChem ID : 537126
Rotatable bond count : 5 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 10.404010
Hydrogen bond donor count : 1 Electric dipole moment : 2.072
XLogP : 3.363 VDW volume : 173.010547
Molecular weight : 144.151415 HOMO-LUMO gap : 13.370000
Herb list :
Refrences & Litretures:
  
14.      Journal:'Phytochem. Anal. 2014, 25, 273'      Year:'2014'      Volume:'25'      Page:'273'      DOI:'10.1002/pca.2503'      Title:'Chemometric Resolution Approaches in Characterisation of Volatile Constituents in Plantago ovata Seeds using Gas Chromatography–Mass Spectrometry: Methodology and Performance Assessment'
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