3OL

(3R)-oct-1-en-3-ol

Created:	2000-11-22
Last modified:	2014-02-24

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2 entries where 3OL is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	25
Chiral Atom Count	1
Bond Count	24
Aromatic Bond Count	0

2D diagram of 3OL

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Chemical Component Summary
Name	(3R)-oct-1-en-3-ol
Systematic Name (OpenEye OEToolkits)	(3R)-oct-1-en-3-ol
Formula	C₈ H₁₆ O
Molecular Weight	128.212
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	OC(/C=C)CCCCC
SMILES	CACTVS	3.370	CCCCC[CH](O)C=C
SMILES	OpenEye OEToolkits	1.7.6	CCCCCC(C=C)O
Canonical SMILES	CACTVS	3.370	CCCCC[C@@H](O)C=C
Canonical SMILES	OpenEye OEToolkits	1.7.6	CCCCC[C@H](C=C)O
InChI	InChI	1.03	InChI=1S/C8H16O/c1-3-5-6-7-8(9)4-2/h4,8-9H,2-3,5-7H2,1H3/t8-/m0/s1
InChIKey	InChI	1.03	VSMOENVRRABVKN-QMMMGPOBSA-N

Related Resource References

Resource Name	Reference
PubChem	6992244
ChEMBL	CHEMBL1230177
ChEBI	CHEBI:39932

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.