methyl (3Z,6Z,9Z)-11-hydroxyundeca-3,6,9-trienoate

C12H18O3 — CID 118240850

IUPACmethyl (3Z,6Z,9Z)-11-hydroxyundeca-3,6,9-trienoate
SMILESCOC(=O)C/C=C\C/C=C\C/C=C\CO
InChIInChI=1S/C12H18O3/c1-15-12(14)10-8-6-4-2-3-5-7-9-11-13/h2-3,6-9,13H,4-5,10-11H2,1H3/b3-2-,8-6-,9-7-
InChIKeyQYZIYXSUVDFGEX-MVOZTAHOSA-N
MW210.27 g/mol
LogP1.99
Rot. Bonds7

About methyl (3Z,6Z,9Z)-11-hydroxyundeca-3,6,9-trienoate

methyl (3Z,6Z,9Z)-11-hydroxyundeca-3,6,9-trienoate (PubChem CID 118240850) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is methyl (3Z,6Z,9Z)-11-hydroxyundeca-3,6,9-trienoate.

Molecular Properties

Compound Namemethyl (3Z,6Z,9Z)-11-hydroxyundeca-3,6,9-trienoate
PubChem CID118240850
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Namemethyl (3Z,6Z,9Z)-11-hydroxyundeca-3,6,9-trienoate
SMILESCOC(=O)C/C=C\C/C=C\C/C=C\CO
InChIInChI=1S/C12H18O3/c1-15-12(14)10-8-6-4-2-3-5-7-9-11-13/h2-3,6-9,13H,4-5,10-11H2,1H3/b3-2-,8-6-,9-7-
InChIKeyQYZIYXSUVDFGEX-MVOZTAHOSA-N
XLogP1.99
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl (3Z,6Z,9Z)-dodeca-3,6,9-trienoate
CID 121274529
methyl (3Z,6Z)-deca-3,6,9-trienoate
CID 118680106
methyl (3E,6E)-deca-3,6-dienoate
CID 18319379
methyl (E)-6-oxohept-3-enoate
CID 58421988
methyl (3E,6E)-octadeca-3,6-dienoate
CID 14122947
methyl (Z)-7-hydroxyhept-5-enoate
CID 15586879
methyl 6-bromohex-3-enoate
CID 54416291
methyl (3E,7E)-undeca-3,7-dienoate
CID 102118339
methyl (5Z,8Z,11Z)-15-hydroxypentadeca-5,8,11-trienoate
CID 122579422
dimethyl (E)-non-3-enedioate
CID 14690983
methyl (6Z,9Z,12Z)-15-hydroxypentadeca-6,9,12-trienoate
CID 66558829
methyl (Z)-7-methoxyhept-3-enoate
CID 117267279

Frequently Asked Questions

What is the IUPAC name of methyl (3Z,6Z,9Z)-11-hydroxyundeca-3,6,9-trienoate?
The IUPAC name of methyl (3Z,6Z,9Z)-11-hydroxyundeca-3,6,9-trienoate (CID 118240850) is methyl (3Z,6Z,9Z)-11-hydroxyundeca-3,6,9-trienoate.
What is the SMILES notation for methyl (3Z,6Z,9Z)-11-hydroxyundeca-3,6,9-trienoate?
The canonical SMILES for methyl (3Z,6Z,9Z)-11-hydroxyundeca-3,6,9-trienoate is COC(=O)C/C=C\C/C=C\C/C=C\CO.
What is the InChIKey of methyl (3Z,6Z,9Z)-11-hydroxyundeca-3,6,9-trienoate?
The InChIKey is QYZIYXSUVDFGEX-MVOZTAHOSA-N. The full InChI is InChI=1S/C12H18O3/c1-15-12(14)10-8-6-4-2-3-5-7-9-11-13/h2-3,6-9,13H,4-5,10-11H2,1H3/b3-2-,8-6-,9-7-.
What are the key properties of methyl (3Z,6Z,9Z)-11-hydroxyundeca-3,6,9-trienoate?
methyl (3Z,6Z,9Z)-11-hydroxyundeca-3,6,9-trienoate has a molecular weight of 210.27 g/mol, XLogP of 1.99, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3Z,6Z,9Z)-11-hydroxyundeca-3,6,9-trienoate is sourced from PubChem (CID 118240850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).