methyl (2E,5E)-10-hydroxyundeca-2,5-dienoate

C12H20O3 — CID 23272486

IUPACmethyl (2E,5E)-10-hydroxyundeca-2,5-dienoate
SMILESCOC(=O)/C=C/C/C=C/CCCC(C)O
InChIInChI=1S/C12H20O3/c1-11(13)9-7-5-3-4-6-8-10-12(14)15-2/h3-4,8,10-11,13H,5-7,9H2,1-2H3/b4-3+,10-8+
InChIKeySYNSSXZINJYVOT-FJMRRMLCSA-N
MW212.29 g/mol
LogP2.21
Rot. Bonds7

About methyl (2E,5E)-10-hydroxyundeca-2,5-dienoate

methyl (2E,5E)-10-hydroxyundeca-2,5-dienoate (PubChem CID 23272486) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is methyl (2E,5E)-10-hydroxyundeca-2,5-dienoate.

Molecular Properties

Compound Namemethyl (2E,5E)-10-hydroxyundeca-2,5-dienoate
PubChem CID23272486
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Namemethyl (2E,5E)-10-hydroxyundeca-2,5-dienoate
SMILESCOC(=O)/C=C/C/C=C/CCCC(C)O
InChIInChI=1S/C12H20O3/c1-11(13)9-7-5-3-4-6-8-10-12(14)15-2/h3-4,8,10-11,13H,5-7,9H2,1-2H3/b4-3+,10-8+
InChIKeySYNSSXZINJYVOT-FJMRRMLCSA-N
XLogP2.21
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 52.21
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl (E)-7-hydroxyoct-2-enoate
CID 11062875
methyl (2E,4E,9R)-9-hydroxydeca-2,4-dienoate
CID 10893104
methyl (2E,5E)-undeca-2,5,10-trienoate
CID 5362640
dimethyl (2E,5E)-hepta-2,5-dienedioate
CID 23523209
methyl (E)-7,8-dihydroxyoct-2-enoate
CID 15347118
ethyl (E)-7-hydroxyoct-2-enoate
CID 5368922
dimethyl (2E,14E)-8,9-dihydroxyhexadeca-2,14-dienedioate
CID 15695640
methyl (2Z,5Z,8Z,11Z,14Z,17Z)-icosa-2,5,8,11,14,17-hexaenoate
CID 10734062
methyl (E)-7-hydroxynon-2-en-8-ynoate
CID 102270556
methyl (2E,8E)-undeca-2,8-dienoate
CID 102118335
nonadeca-7,10,13-trien-2-ol
CID 54048695
methyl pentadeca-2,4,9,12-tetraenoate
CID 71418279

Frequently Asked Questions

What is the IUPAC name of methyl (2E,5E)-10-hydroxyundeca-2,5-dienoate?
The IUPAC name of methyl (2E,5E)-10-hydroxyundeca-2,5-dienoate (CID 23272486) is methyl (2E,5E)-10-hydroxyundeca-2,5-dienoate.
What is the SMILES notation for methyl (2E,5E)-10-hydroxyundeca-2,5-dienoate?
The canonical SMILES for methyl (2E,5E)-10-hydroxyundeca-2,5-dienoate is COC(=O)/C=C/C/C=C/CCCC(C)O.
What is the InChIKey of methyl (2E,5E)-10-hydroxyundeca-2,5-dienoate?
The InChIKey is SYNSSXZINJYVOT-FJMRRMLCSA-N. The full InChI is InChI=1S/C12H20O3/c1-11(13)9-7-5-3-4-6-8-10-12(14)15-2/h3-4,8,10-11,13H,5-7,9H2,1-2H3/b4-3+,10-8+.
What are the key properties of methyl (2E,5E)-10-hydroxyundeca-2,5-dienoate?
methyl (2E,5E)-10-hydroxyundeca-2,5-dienoate has a molecular weight of 212.29 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2E,5E)-10-hydroxyundeca-2,5-dienoate is sourced from PubChem (CID 23272486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).