Pentylcyclohexa-1,3-diene

ScientificNameLabel

Pentylcyclohexa-1,3-diene
PHCD compound ID :	4765
Chemical Names :	Pentylcyclohexa-1,3-diene
Molecular Formula :	C11H18
Molecular Weight :	150.140851

More Details :

Names & Synonyms:	1-pentylcyclohexa-1,3-diene , 1-amylcyclohexa-1,3-diene
Smiles:	CCCCCC1=CC=CCC1
InChi :	InChI=1S/C11H18/c1-2-3-5-8-11-9-6-4-7-10-11/h4,6,9H,2-3,5,7-8,10H2,1H3
InChi Key :	InChIKey=TWGRYUWSJLSKAL-UHFFFAOYSA-N
PubChem ID :	20453786

Rotatable bond count :	4	Rule of five :	0
Hydrogen bond acceptor count :	0	Ionization potential :	8.645374
Hydrogen bond donor count :	0	Electric dipole moment :	1.120
XLogP :	4.687	VDW volume :	181.182913
Molecular weight :	150.140851	HOMO-LUMO gap :	9.123000

Herb list :

- Kelussia odoratissima - کلوس

Refrences & Litretures:


758. Journal:'Chemistry of Natural Compounds' Year:'2010' Volume:'46' Page:'813' DOI:'10.1007/s10600-010-9754-7' Title:'CHEMICAL CHARACTERISTICS OF THE SEED OF IRANIAN ENDEMIC PLANT Kelussia odoratissima'

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