(6E,8E)-10-hydroxy-9-oxido-10-oxodeca-6,8-dienoate

C10H12O5-2 — CID 54707971

IUPAC(6E,8E)-10-hydroxy-9-oxido-10-oxodeca-6,8-dienoate
SMILESO=C([O-])CCCC/C=C/C=C(/[O-])C(=O)O
InChIInChI=1S/C10H14O5/c11-8(10(14)15)6-4-2-1-3-5-7-9(12)13/h2,4,6,11H,1,3,5,7H2,(H,12,13)(H,14,15)/p-2/b4-2+,8-6+
InChIKeyMPFLOVTXQFENDL-REBBJWOHSA-L
MW212.20 g/mol
LogP-0.82
Rot. Bonds7

About (6E,8E)-10-hydroxy-9-oxido-10-oxodeca-6,8-dienoate

(6E,8E)-10-hydroxy-9-oxido-10-oxodeca-6,8-dienoate (PubChem CID 54707971) has the molecular formula C10H12O5-2 and a molecular weight of 212.20 g/mol. Its IUPAC name is (6E,8E)-10-hydroxy-9-oxido-10-oxodeca-6,8-dienoate.

Molecular Properties

Compound Name(6E,8E)-10-hydroxy-9-oxido-10-oxodeca-6,8-dienoate
PubChem CID54707971
Molecular FormulaC10H12O5-2
Molecular Weight212.20 g/mol
Exact Mass212.07
IUPAC Name(6E,8E)-10-hydroxy-9-oxido-10-oxodeca-6,8-dienoate
SMILESO=C([O-])CCCC/C=C/C=C(/[O-])C(=O)O
InChIInChI=1S/C10H14O5/c11-8(10(14)15)6-4-2-1-3-5-7-9(12)13/h2,4,6,11H,1,3,5,7H2,(H,12,13)(H,14,15)/p-2/b4-2+,8-6+
InChIKeyMPFLOVTXQFENDL-REBBJWOHSA-L
XLogP-0.82
TPSA100.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 5-0.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

sodium nona-6,8-dienoate
CID 161139818
(9Z,11E,13Z)-octadeca-9,11,13-trienoate
CID 25244650
(9E,11E,13E,15E)-octadeca-9,11,13,15-tetraenoate
CID 5460991
potassium (10E,12E)-octadeca-10,12-dienoate
CID 101366415
(E)-oct-2-enedioate
CID 22622865
(5E,7Z)-9-hydroxy-8-oxido-4,9-dioxonona-5,7-dienoate
CID 54689772
(E)-octadec-13-enoate
CID 19042742
(E)-triacont-15-enoate
CID 59800253
hexakis((Z)-octadec-9-enoate);uranium
CID 173422763
(Z)-tetradec-9-enoate
CID 5461014
tris((Z)-icos-11-enoate);neodymium(3+)
CID 175691985
(2E,4Z)-2-hexyldeca-2,4-dienoic acid
CID 87447693

Frequently Asked Questions

What is the IUPAC name of (6E,8E)-10-hydroxy-9-oxido-10-oxodeca-6,8-dienoate?
The IUPAC name of (6E,8E)-10-hydroxy-9-oxido-10-oxodeca-6,8-dienoate (CID 54707971) is (6E,8E)-10-hydroxy-9-oxido-10-oxodeca-6,8-dienoate.
What is the SMILES notation for (6E,8E)-10-hydroxy-9-oxido-10-oxodeca-6,8-dienoate?
The canonical SMILES for (6E,8E)-10-hydroxy-9-oxido-10-oxodeca-6,8-dienoate is O=C([O-])CCCC/C=C/C=C(/[O-])C(=O)O.
What is the InChIKey of (6E,8E)-10-hydroxy-9-oxido-10-oxodeca-6,8-dienoate?
The InChIKey is MPFLOVTXQFENDL-REBBJWOHSA-L. The full InChI is InChI=1S/C10H14O5/c11-8(10(14)15)6-4-2-1-3-5-7-9(12)13/h2,4,6,11H,1,3,5,7H2,(H,12,13)(H,14,15)/p-2/b4-2+,8-6+.
What are the key properties of (6E,8E)-10-hydroxy-9-oxido-10-oxodeca-6,8-dienoate?
(6E,8E)-10-hydroxy-9-oxido-10-oxodeca-6,8-dienoate has a molecular weight of 212.20 g/mol, XLogP of -0.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,8E)-10-hydroxy-9-oxido-10-oxodeca-6,8-dienoate is sourced from PubChem (CID 54707971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).