methyl (5Z,7E,9E)-11-(2-methoxyacetyl)oxyundeca-5,7,9-trienoate

C15H22O5 — CID 14965795

IUPACmethyl (5Z,7E,9E)-11-(2-methoxyacetyl)oxyundeca-5,7,9-trienoate
SMILESCOCC(=O)OC/C=C/C=C/C=C\CCCC(=O)OC
InChIInChI=1S/C15H22O5/c1-18-13-15(17)20-12-10-8-6-4-3-5-7-9-11-14(16)19-2/h3-6,8,10H,7,9,11-13H2,1-2H3/b5-3-,6-4+,10-8+
InChIKeyBTFWWPFMRSHJJL-JBJAKCJUSA-N
MW282.34 g/mol
LogP2.19
Rot. Bonds10

About methyl (5Z,7E,9E)-11-(2-methoxyacetyl)oxyundeca-5,7,9-trienoate

methyl (5Z,7E,9E)-11-(2-methoxyacetyl)oxyundeca-5,7,9-trienoate (PubChem CID 14965795) has the molecular formula C15H22O5 and a molecular weight of 282.34 g/mol. Its IUPAC name is methyl (5Z,7E,9E)-11-(2-methoxyacetyl)oxyundeca-5,7,9-trienoate.

Molecular Properties

Compound Namemethyl (5Z,7E,9E)-11-(2-methoxyacetyl)oxyundeca-5,7,9-trienoate
PubChem CID14965795
Molecular FormulaC15H22O5
Molecular Weight282.34 g/mol
Exact Mass282.15
IUPAC Namemethyl (5Z,7E,9E)-11-(2-methoxyacetyl)oxyundeca-5,7,9-trienoate
SMILESCOCC(=O)OC/C=C/C=C/C=C\CCCC(=O)OC
InChIInChI=1S/C15H22O5/c1-18-13-15(17)20-12-10-8-6-4-3-5-7-9-11-14(16)19-2/h3-6,8,10H,7,9,11-13H2,1-2H3/b5-3-,6-4+,10-8+
InChIKeyBTFWWPFMRSHJJL-JBJAKCJUSA-N
XLogP2.19
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl (5Z,7E,9E)-11-(2-methoxyacetyl)oxyundeca-5,7,9-trienoate with MolForge

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Related Compounds

2-Hexenyl pentanoate, (2E)-
CID 5352974
Methyl 12-acetyloxydodeca-5,8,10-trienoate
CID 73721010
methyl (5Z,8Z,10E,12R,13S,14Z,17Z)-12,13-diacetyloxyicosa-5,8,10,14,17-pentaenoate
CID 163030151
Hex-2-en-1-yl pentanoate
CID 92571
(Z)-2-Hexenyl pentanoate
CID 21159478
diethyl (E)-2-but-3-enyl-3-methoxybut-2-enedioate
CID 14183977
methyl (5Z,7E,9E)-11-acetyloxyundeca-5,7,9-trienoate
CID 14965794
methyl 12-acetoxy-5(Z),8(E),10(E)-dodecatrienoate
CID 171120549
acetyl (5Z,8E,10E)-12-methoxydodeca-5,8,10-trienoate
CID 23426969
Pent-3-en-2-yl 2-formyloxyhex-5-enoate
CID 53767963
methyl (2S)-2-(2-prop-2-enoxyacetyl)oxyicosa-5,8,11,14-tetraenoate
CID 57148229
methyl (2R)-2-(2-prop-2-enoxyacetyl)oxyicosa-5,8,11,14-tetraenoate
CID 57155387

Frequently Asked Questions

What is the IUPAC name of methyl (5Z,7E,9E)-11-(2-methoxyacetyl)oxyundeca-5,7,9-trienoate?
The IUPAC name of methyl (5Z,7E,9E)-11-(2-methoxyacetyl)oxyundeca-5,7,9-trienoate (CID 14965795) is methyl (5Z,7E,9E)-11-(2-methoxyacetyl)oxyundeca-5,7,9-trienoate.
What is the SMILES notation for methyl (5Z,7E,9E)-11-(2-methoxyacetyl)oxyundeca-5,7,9-trienoate?
The canonical SMILES for methyl (5Z,7E,9E)-11-(2-methoxyacetyl)oxyundeca-5,7,9-trienoate is COCC(=O)OC/C=C/C=C/C=C\CCCC(=O)OC.
What is the InChIKey of methyl (5Z,7E,9E)-11-(2-methoxyacetyl)oxyundeca-5,7,9-trienoate?
The InChIKey is BTFWWPFMRSHJJL-JBJAKCJUSA-N. The full InChI is InChI=1S/C15H22O5/c1-18-13-15(17)20-12-10-8-6-4-3-5-7-9-11-14(16)19-2/h3-6,8,10H,7,9,11-13H2,1-2H3/b5-3-,6-4+,10-8+.
What are the key properties of methyl (5Z,7E,9E)-11-(2-methoxyacetyl)oxyundeca-5,7,9-trienoate?
methyl (5Z,7E,9E)-11-(2-methoxyacetyl)oxyundeca-5,7,9-trienoate has a molecular weight of 282.34 g/mol, XLogP of 2.19, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (5Z,7E,9E)-11-(2-methoxyacetyl)oxyundeca-5,7,9-trienoate is sourced from PubChem (CID 14965795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).