CIS-RAC-2-(2-BUTOXYCYCLOPENT-3-ENYL)ETHANOL

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Molecule Category Free-form
Source Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...

Structure

InChI Key XKHZPVFBXIOQBS-QWRGUYRKSA-N
Smiles CCCCO[C@H]1C=CC[C@H]1CCO
InChI
InChI=1S/C11H20O2/c1-2-3-9-13-11-6-4-5-10(11)7-8-12/h4,6,10-12H,2-3,5,7-9H2,1H3/t10-,11-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H20O2
Molecular Weight 184.28
AlogP 2.02
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 29.46
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 13.0

Cross References

Resources Reference
ChEMBL CHEMBL2252436
PubChem 24744920
CONTENTS