methyl 5,10-dihydroxydeca-6,8-dienoate

C11H18O4 — CID 86109442

IUPACmethyl 5,10-dihydroxydeca-6,8-dienoate
SMILESCOC(=O)CCCC(O)C=CC=CCO
InChIInChI=1S/C11H18O4/c1-15-11(14)8-5-7-10(13)6-3-2-4-9-12/h2-4,6,10,12-13H,5,7-9H2,1H3
InChIKeyPAHSXKFVNJEABA-UHFFFAOYSA-N
MW214.26 g/mol
LogP0.80
Rot. Bonds7

About methyl 5,10-dihydroxydeca-6,8-dienoate

methyl 5,10-dihydroxydeca-6,8-dienoate (PubChem CID 86109442) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is methyl 5,10-dihydroxydeca-6,8-dienoate.

Molecular Properties

Compound Namemethyl 5,10-dihydroxydeca-6,8-dienoate
PubChem CID86109442
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Namemethyl 5,10-dihydroxydeca-6,8-dienoate
SMILESCOC(=O)CCCC(O)C=CC=CCO
InChIInChI=1S/C11H18O4/c1-15-11(14)8-5-7-10(13)6-3-2-4-9-12/h2-4,6,10,12-13H,5,7-9H2,1H3
InChIKeyPAHSXKFVNJEABA-UHFFFAOYSA-N
XLogP0.80
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl (6Z,8E)-5-hydroxy-10-oxodeca-6,8-dienoate
CID 88682053
methyl (9E,11E,13S)-13-hydroxyoctacosa-9,11-dienoate
CID 101242423
methyl (9E,11E,13R)-13-hydroxyoctadeca-9,11-dienoate
CID 35027784
methyl (5Z,8Z,11Z,13E)-15-hydroxyicosa-5,8,11,13-tetraenoate
CID 13213512
methyl (5R,6R,7E,9E,11Z,13E,15S)-5,6,15-trihydroxyicosa-7,9,11,13-tetraenoate
CID 95065529
methyl (5S,6Z,8Z,10E,12E,14R,15S)-5,14,15-trihydroxyicosa-6,8,10,12-tetraenoate
CID 14394172
(2E,4E,6E)-trideca-2,4,6-triene-1,8-diol
CID 10846135
methyl (4E,9E,11E,13Z)-15-hydroxypentadeca-4,9,11,13-tetraenoate
CID 15484485
methyl (E,12R,15S)-12,15-dihydroxydocos-13-enoate
CID 10022931
methyl (Z)-7-hydroxyhept-5-enoate
CID 15586879
benzene;methyl (5S,6E,8Z,10E,12E,14R,15R)-5,14,15-trihydroxyhexadeca-6,8,10,12-tetraenoate;yttrium
CID 59263594
methyl 5,7-dihydroxyheptanoate
CID 123290947

Frequently Asked Questions

What is the IUPAC name of methyl 5,10-dihydroxydeca-6,8-dienoate?
The IUPAC name of methyl 5,10-dihydroxydeca-6,8-dienoate (CID 86109442) is methyl 5,10-dihydroxydeca-6,8-dienoate.
What is the SMILES notation for methyl 5,10-dihydroxydeca-6,8-dienoate?
The canonical SMILES for methyl 5,10-dihydroxydeca-6,8-dienoate is COC(=O)CCCC(O)C=CC=CCO.
What is the InChIKey of methyl 5,10-dihydroxydeca-6,8-dienoate?
The InChIKey is PAHSXKFVNJEABA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O4/c1-15-11(14)8-5-7-10(13)6-3-2-4-9-12/h2-4,6,10,12-13H,5,7-9H2,1H3.
What are the key properties of methyl 5,10-dihydroxydeca-6,8-dienoate?
methyl 5,10-dihydroxydeca-6,8-dienoate has a molecular weight of 214.26 g/mol, XLogP of 0.80, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5,10-dihydroxydeca-6,8-dienoate is sourced from PubChem (CID 86109442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).