Electrostatic potential surface for M160
This anaesthetic has more than one structural configuration. An example low energy conformer is shown.
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Surface view shows the electrostatic potential of the conformer mapped onto the solvent excluded surface, based on a probe of radius 1.4Å. Regions of negative potential are shown in red, positive in blue.
 
Structure Details
Structural Formula CH2=CH-O-CH=CH2
Molecular Formula C4H6O
Chemical Group Ether
Anaesthetic Type Inhalational: Conventional Agent
Chiral Structure No
molfield.org ID M160
CAS Number 109-93-9
ChEMBL (External Link) -
ChEBI (External Link) -
Drug Bank (External Link) -
ChemSpider (External Link) 7733
PubChem (External Link) 8024
Chemicalize.org (External Link) CAS No 109-93-9
SMILES String C=COC=C
Molecular Weight (g.mol-1) 70.0902
SynonymsVinethene
In Vivo Activity Data
Immobility: MAC Human (atm)0.03Steward A, Allott PR, Cowles AL & Mapleson WW. Br J Anaesth 1973;45:282-93
Physical Properties
Olive Oil / Gas Partition Coeff. at 37°C60Steward A, Allott PR, Cowles AL & Mapleson WW. Br J Anaesth 1973;45:282-93
Blood / Gas Partition Coeff. at 37°C2.6Steward A, Allott PR, Cowles AL & Mapleson WW. Br J Anaesth 1973;45:282-93
Water / Gas Partition Coeff. at 37°C1.4Steward A, Allott PR, Cowles AL & Mapleson WW. Br J Anaesth 1973;45:282-93
Calculated Molecular Properties
van der Waals Volume 74 Å3 
van der Waals Surface Area 109 Å2 
Solvent Accessible Volume 315 Å3(based on a 1.4Å probe)
Solvent Accessible Surface Area 246 Å2(based on a 1.4Å probe)
All values are mean ± SD, except data labelled with † which are mean ± SEM. Use of this web site assumes acceptance of our Copyright & Licence conditions.
Database Version: 1.09.9     Last Updated: 21st February 2014