methyl (4E,9E,11E,13Z)-15-hydroxypentadeca-4,9,11,13-tetraenoate

C16H24O3 — CID 15484485

IUPACmethyl (4E,9E,11E,13Z)-15-hydroxypentadeca-4,9,11,13-tetraenoate
SMILESCOC(=O)CC/C=C/CCC/C=C/C=C/C=C\CO
InChIInChI=1S/C16H24O3/c1-19-16(18)14-12-10-8-6-4-2-3-5-7-9-11-13-15-17/h3,5,7-11,13,17H,2,4,6,12,14-15H2,1H3/b5-3+,9-7+,10-8+,13-11-
InChIKeyZJMSWQFRJODPRS-YSSVKQDFSA-N
MW264.37 g/mol
LogP3.33
Rot. Bonds10

About methyl (4E,9E,11E,13Z)-15-hydroxypentadeca-4,9,11,13-tetraenoate

methyl (4E,9E,11E,13Z)-15-hydroxypentadeca-4,9,11,13-tetraenoate (PubChem CID 15484485) has the molecular formula C16H24O3 and a molecular weight of 264.37 g/mol. Its IUPAC name is methyl (4E,9E,11E,13Z)-15-hydroxypentadeca-4,9,11,13-tetraenoate.

Molecular Properties

Compound Namemethyl (4E,9E,11E,13Z)-15-hydroxypentadeca-4,9,11,13-tetraenoate
PubChem CID15484485
Molecular FormulaC16H24O3
Molecular Weight264.37 g/mol
Exact Mass264.17
IUPAC Namemethyl (4E,9E,11E,13Z)-15-hydroxypentadeca-4,9,11,13-tetraenoate
SMILESCOC(=O)CC/C=C/CCC/C=C/C=C/C=C\CO
InChIInChI=1S/C16H24O3/c1-19-16(18)14-12-10-8-6-4-2-3-5-7-9-11-13-15-17/h3,5,7-11,13,17H,2,4,6,12,14-15H2,1H3/b5-3+,9-7+,10-8+,13-11-
InChIKeyZJMSWQFRJODPRS-YSSVKQDFSA-N
XLogP3.33
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl (Z)-7-hydroxyhept-5-enoate
CID 15586879
dimethyl (E)-oct-4-enedioate
CID 15585051
dimethyl (11E,13E,15E,17E,19E,21E)-dotriaconta-11,13,15,17,19,21-hexaenedioate
CID 12073776
carbon monoxide;iron;15-O-methyl 1-O-prop-2-enyl (2Z,4E,6E,11E)-pentadeca-2,4,6,11-tetraenedioate
CID 10983357
methyl (9E,11E,13E)-octadeca-9,11,13-trienoate
CID 6433658
methyl (Z)-17-methyloctadec-4-enoate
CID 10686436
methyl hepta-4,6-dienoate
CID 53405107
methyl (Z)-oct-4-enoate
CID 5352774
dimethyl (E)-triacont-15-enedioate
CID 10767955
methyl (E)-7-oxohept-5-enoate
CID 10920751
methyl hexadeca-9,11-dienoate
CID 71381501
methyl (9E,11E)-hexadeca-9,11-dienoate
CID 175988172

Frequently Asked Questions

What is the IUPAC name of methyl (4E,9E,11E,13Z)-15-hydroxypentadeca-4,9,11,13-tetraenoate?
The IUPAC name of methyl (4E,9E,11E,13Z)-15-hydroxypentadeca-4,9,11,13-tetraenoate (CID 15484485) is methyl (4E,9E,11E,13Z)-15-hydroxypentadeca-4,9,11,13-tetraenoate.
What is the SMILES notation for methyl (4E,9E,11E,13Z)-15-hydroxypentadeca-4,9,11,13-tetraenoate?
The canonical SMILES for methyl (4E,9E,11E,13Z)-15-hydroxypentadeca-4,9,11,13-tetraenoate is COC(=O)CC/C=C/CCC/C=C/C=C/C=C\CO.
What is the InChIKey of methyl (4E,9E,11E,13Z)-15-hydroxypentadeca-4,9,11,13-tetraenoate?
The InChIKey is ZJMSWQFRJODPRS-YSSVKQDFSA-N. The full InChI is InChI=1S/C16H24O3/c1-19-16(18)14-12-10-8-6-4-2-3-5-7-9-11-13-15-17/h3,5,7-11,13,17H,2,4,6,12,14-15H2,1H3/b5-3+,9-7+,10-8+,13-11-.
What are the key properties of methyl (4E,9E,11E,13Z)-15-hydroxypentadeca-4,9,11,13-tetraenoate?
methyl (4E,9E,11E,13Z)-15-hydroxypentadeca-4,9,11,13-tetraenoate has a molecular weight of 264.37 g/mol, XLogP of 3.33, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4E,9E,11E,13Z)-15-hydroxypentadeca-4,9,11,13-tetraenoate is sourced from PubChem (CID 15484485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).