methyl (2E,4E,9R)-9-hydroxydeca-2,4-dienoate

C11H18O3 — CID 10893104

IUPACmethyl (2E,4E,9R)-9-hydroxydeca-2,4-dienoate
SMILESCOC(=O)/C=C/C=C/CCC[C@@H](C)O
InChIInChI=1S/C11H18O3/c1-10(12)8-6-4-3-5-7-9-11(13)14-2/h3,5,7,9-10,12H,4,6,8H2,1-2H3/b5-3+,9-7+/t10-/m1/s1
InChIKeyMHZAKQDIPJNGSI-GLDUXJISSA-N
MW198.26 g/mol
LogP1.82
Rot. Bonds6

About methyl (2E,4E,9R)-9-hydroxydeca-2,4-dienoate

methyl (2E,4E,9R)-9-hydroxydeca-2,4-dienoate (PubChem CID 10893104) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is methyl (2E,4E,9R)-9-hydroxydeca-2,4-dienoate.

Molecular Properties

Compound Namemethyl (2E,4E,9R)-9-hydroxydeca-2,4-dienoate
PubChem CID10893104
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Namemethyl (2E,4E,9R)-9-hydroxydeca-2,4-dienoate
SMILESCOC(=O)/C=C/C=C/CCC[C@@H](C)O
InChIInChI=1S/C11H18O3/c1-10(12)8-6-4-3-5-7-9-11(13)14-2/h3,5,7,9-10,12H,4,6,8H2,1-2H3/b5-3+,9-7+/t10-/m1/s1
InChIKeyMHZAKQDIPJNGSI-GLDUXJISSA-N
XLogP1.82
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

methyl (E)-7-hydroxyoct-2-enoate
CID 11062875
methyl (2E,5E)-10-hydroxyundeca-2,5-dienoate
CID 23272486
methyl (2E,4E,6E)-undeca-2,4,6-trienoate
CID 21044545
methyl 14,15-dihydroxyicosa-2,4,6-trienoate
CID 54363707
methyl (4Z)-undeca-2,4-dienoate
CID 172824918
methyl (2E,4E)-octadeca-2,4,6-trienoate
CID 141180621
methyl (2E,4Z,6Z,8E,10E,12Z,17R)-7,8,17-trihydroxydocosa-2,4,6,8,10,12-hexaenoate
CID 175821794
methyl 8-hydroxyoctadeca-2,4-dienoate
CID 90770344
methyl deca-2,4,6-trienoate
CID 57131946
(E,7R)-7-hydroxyoct-2-enal
CID 131236706
methyl pentadeca-2,4,9,12-tetraenoate
CID 71418279
methyl (2E,4E,8Z,10E,12E)-tetradeca-2,4,8,10,12-pentaenoate
CID 139599901

Frequently Asked Questions

What is the IUPAC name of methyl (2E,4E,9R)-9-hydroxydeca-2,4-dienoate?
The IUPAC name of methyl (2E,4E,9R)-9-hydroxydeca-2,4-dienoate (CID 10893104) is methyl (2E,4E,9R)-9-hydroxydeca-2,4-dienoate.
What is the SMILES notation for methyl (2E,4E,9R)-9-hydroxydeca-2,4-dienoate?
The canonical SMILES for methyl (2E,4E,9R)-9-hydroxydeca-2,4-dienoate is COC(=O)/C=C/C=C/CCC[C@@H](C)O.
What is the InChIKey of methyl (2E,4E,9R)-9-hydroxydeca-2,4-dienoate?
The InChIKey is MHZAKQDIPJNGSI-GLDUXJISSA-N. The full InChI is InChI=1S/C11H18O3/c1-10(12)8-6-4-3-5-7-9-11(13)14-2/h3,5,7,9-10,12H,4,6,8H2,1-2H3/b5-3+,9-7+/t10-/m1/s1.
What are the key properties of methyl (2E,4E,9R)-9-hydroxydeca-2,4-dienoate?
methyl (2E,4E,9R)-9-hydroxydeca-2,4-dienoate has a molecular weight of 198.26 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2E,4E,9R)-9-hydroxydeca-2,4-dienoate is sourced from PubChem (CID 10893104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).