2-heptenol

ScientificNameLabel

2-heptenol
PHCD compound ID :	4609
Chemical Names :	2-heptenol
Molecular Formula :	C7H14O1
Molecular Weight :	114.104465

More Details :

Names & Synonyms:	(E)-hept-2-en-1-ol , (E)-2-hepten-1-ol
Smiles:	CCCC/C=C/CO
InChi :	InChI=1S/C7H14O/c1-2-3-4-5-6-7-8/h5-6,8H,2-4,7H2,1H3/b6-5+
InChi Key :	InChIKey=ASFYPVGAALGVNR-AATRIKPKSA-N
PubChem ID :	5318017

Rotatable bond count :	4	Rule of five :	0
Hydrogen bond acceptor count :	1	Ionization potential :	9.918478
Hydrogen bond donor count :	1	Electric dipole moment :	2.265
XLogP :	2.242	VDW volume :	135.782119
Molecular weight :	114.104465	HOMO-LUMO gap :	10.750000

Herb list :

Dog rose, Briar rose, Hip-rose - Rosa canina - نسترن وحشی، گل سگ

Refrences & Litretures:


715. Journal:'Z Naturforsch C' Year:'2005' Volume:'60' Page:'369' DOI:'' Title:'Chemical Composition of Hips Essential Oils of Some Rosa L. Species'

Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.

Follow us