1-Heptanol,3-methyl-

ScientificNameLabel

1-Heptanol,3-methyl-
PHCD compound ID :	1252
Chemical Names :	1-Heptanol,3-methyl-
Molecular Formula :	C8H18O1
Molecular Weight :	130.135765

More Details :

Names & Synonyms:	3-methylheptan-1-ol , 3-methyl-1-heptanol
Smiles:	CCCC[C@@H](CCO)C
InChi :	InChI=1S/C8H18O/c1-3-4-5-8(2)6-7-9/h8-9H,3-7H2,1-2H3/t8-/m0/s1
InChi Key :	InChIKey=MUPPEBVXFKNMCI-QMMMGPOBSA-N
PubChem ID :	517883

Rotatable bond count :	5	Rule of five :	0
Hydrogen bond acceptor count :	1	Ionization potential :	10.522050
Hydrogen bond donor count :	1	Electric dipole moment :	2.059
XLogP :	3.066	VDW volume :	155.714562
Molecular weight :	130.135765	HOMO-LUMO gap :	13.459000

Herb list :

Citron, Persian apple - Citrus medica - بالنگ، ترنج، بادرنگ

Refrences & Litretures:


130. Journal:'J. Sci. Res' Year:'2009' Volume:'1' Page:'387' DOI:'10.3329/jsr.v1i2.1760' Title:'Constituents of Peel and Leaf Essential Oils of Citrus Medica L'

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