Home
News
Search
Basic
Structure
Physicochemical properties
Topological properties
Services
Virtual Screening
Docking
Chemoinformatics
Training
Help
Data Description
Version History
FAQ
Your Comments
Data Submission
Statistics
Compound: 5546
Plants: 312
References: 992
Visitors: 50
About
About PHCD
The Team
Sponsors
Publications
Citing
Contact Us
Sign in >
(Z)-2-pentenol
ScientificNameLabel
(Z)-2-pentenol
PHCD compound ID :
2387
Chemical Names :
(Z)-Pent-2-en-1-ol , (Z)-2-pentenol , (Z)-2-Penten-1-ol
Molecular Formula :
C5H10O1
Molecular Weight :
86.073165
More Details :
Names & Synonyms:
(Z)-pent-2-en-1-ol , (Z)-2-penten-1-ol
Smiles:
CC/C=C\CO
InChi :
InChI=1S/C5H10O/c1-2-3-4-5-6/h3-4,6H,2,5H2,1H3/b4-3-
InChi Key :
InChIKey=BTSIZIIPFNVMHF-ARJAWSKDSA-N
PubChem ID :
5364919
Rotatable bond count :
2
Rule of five :
0
Hydrogen bond acceptor count :
1
Ionization potential :
9.934004
Hydrogen bond donor count :
1
Electric dipole moment :
2.079
XLogP :
1.104
VDW volume :
101.19015
Molecular weight :
86.073165
HOMO-LUMO gap :
10.806000
Herb list :
Barley - Hordeum vulgare - جو
Henna - Lawsonia inermis - حنا
Horse chestnut - Aesculus hippocastanum - شاه بلوط هندی
Yellow sweet clover, Yellow melilot - Melilotus officinalis - یونجه زرد، اکلیل الملک
Refrences & Litretures:
267. Journal:'J Chem Ecol' Year:'2013' Volume:'39' Page:'1129' DOI:'10.1007/s10886-013-0302-3' Title:'Characterization of Volatile Organic Compounds Emitted by Barley (Hordeum vulgare L.) Roots and Their Attractiveness to Wireworms'
290. Journal:'Journal of Essential Oil Research' Year:'1995' Volume:'7' Page:'425' DOI:'10.1080/10412905.1995.9698554' Title:'Volatile Components of Lawsonia inermis L. Flowers'
485. Journal:'J Chem Ecol' Year:'2006' Volume:'32' Page:'2303' DOI:'10.1007/s10886-006-9146-4' Title:'Volatile Emissions from Aesculus hippocastanum Induced by Mining of Larval Stages of Cameraria ohridella Influence Oviposition by Conspecific Females'
498. Journal:'Journal of Essential Oil Bearing Plants' Year:'2010' Volume:'13' Page:'313' DOI:'10.1080/0972060X.2010.10643826' Title:'Chemical Composition of the Leaves Essential Oil of Melilotus officinalis (L.) Pallas from Colombia'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us