methyl (6Z,8E)-5-hydroxy-10-oxodeca-6,8-dienoate

C11H16O4 — CID 88682053

IUPACmethyl (6Z,8E)-5-hydroxy-10-oxodeca-6,8-dienoate
SMILESCOC(=O)CCCC(O)/C=C\C=C\C=O
InChIInChI=1S/C11H16O4/c1-15-11(14)8-5-7-10(13)6-3-2-4-9-12/h2-4,6,9-10,13H,5,7-8H2,1H3/b4-2+,6-3-
InChIKeyIYTNEBJMZDVACT-FXVFINMBSA-N
MW212.25 g/mol
LogP1.00
Rot. Bonds7

About methyl (6Z,8E)-5-hydroxy-10-oxodeca-6,8-dienoate

methyl (6Z,8E)-5-hydroxy-10-oxodeca-6,8-dienoate (PubChem CID 88682053) has the molecular formula C11H16O4 and a molecular weight of 212.25 g/mol. Its IUPAC name is methyl (6Z,8E)-5-hydroxy-10-oxodeca-6,8-dienoate.

Molecular Properties

Compound Namemethyl (6Z,8E)-5-hydroxy-10-oxodeca-6,8-dienoate
PubChem CID88682053
Molecular FormulaC11H16O4
Molecular Weight212.25 g/mol
Exact Mass212.10
IUPAC Namemethyl (6Z,8E)-5-hydroxy-10-oxodeca-6,8-dienoate
SMILESCOC(=O)CCCC(O)/C=C\C=C\C=O
InChIInChI=1S/C11H16O4/c1-15-11(14)8-5-7-10(13)6-3-2-4-9-12/h2-4,6,9-10,13H,5,7-8H2,1H3/b4-2+,6-3-
InChIKeyIYTNEBJMZDVACT-FXVFINMBSA-N
XLogP1.00
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

methyl 5,10-dihydroxydeca-6,8-dienoate
CID 86109442
methyl (5S,6Z,8Z,10E,12E,14R,15S)-5,14,15-trihydroxyicosa-6,8,10,12-tetraenoate
CID 14394172
methyl (5R,6R,7E,9E,11Z,13E,15S)-5,6,15-trihydroxyicosa-7,9,11,13-tetraenoate
CID 95065529
benzene;methyl (5S,6E,8Z,10E,12E,14R,15R)-5,14,15-trihydroxyhexadeca-6,8,10,12-tetraenoate;yttrium
CID 59263594
methyl (9E,11E,13S)-13-hydroxyoctacosa-9,11-dienoate
CID 101242423
methyl (9E,11E,13R)-13-hydroxyoctadeca-9,11-dienoate
CID 35027784
methyl (E,12R,15S)-12,15-dihydroxydocos-13-enoate
CID 10022931
methyl (6Z,8E,10E)-5,5-difluoro-12-hydroxyicosa-6,8,10-trienoate
CID 23237819
methyl (5Z,8Z,11Z,13E)-15-hydroxyicosa-5,8,11,13-tetraenoate
CID 13213512
methyl (E)-7-oxohept-5-enoate
CID 10920751
dimethyl hexanedioate;λ2-stannane
CID 173290075
methyl (5S,6E,8Z,10E,12E,14R,15S)-5,14,15-trihydroxy-10-methylicosa-6,8,10,12-tetraenoate
CID 10134397

Frequently Asked Questions

What is the IUPAC name of methyl (6Z,8E)-5-hydroxy-10-oxodeca-6,8-dienoate?
The IUPAC name of methyl (6Z,8E)-5-hydroxy-10-oxodeca-6,8-dienoate (CID 88682053) is methyl (6Z,8E)-5-hydroxy-10-oxodeca-6,8-dienoate.
What is the SMILES notation for methyl (6Z,8E)-5-hydroxy-10-oxodeca-6,8-dienoate?
The canonical SMILES for methyl (6Z,8E)-5-hydroxy-10-oxodeca-6,8-dienoate is COC(=O)CCCC(O)/C=C\C=C\C=O.
What is the InChIKey of methyl (6Z,8E)-5-hydroxy-10-oxodeca-6,8-dienoate?
The InChIKey is IYTNEBJMZDVACT-FXVFINMBSA-N. The full InChI is InChI=1S/C11H16O4/c1-15-11(14)8-5-7-10(13)6-3-2-4-9-12/h2-4,6,9-10,13H,5,7-8H2,1H3/b4-2+,6-3-.
What are the key properties of methyl (6Z,8E)-5-hydroxy-10-oxodeca-6,8-dienoate?
methyl (6Z,8E)-5-hydroxy-10-oxodeca-6,8-dienoate has a molecular weight of 212.25 g/mol, XLogP of 1.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (6Z,8E)-5-hydroxy-10-oxodeca-6,8-dienoate is sourced from PubChem (CID 88682053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).