methyl (E)-9-hydroxytetradec-6-enoate

C15H28O3 — CID 156581365

IUPACmethyl (E)-9-hydroxytetradec-6-enoate
SMILESCCCCCC(O)C/C=C/CCCCC(=O)OC
InChIInChI=1S/C15H28O3/c1-3-4-8-11-14(16)12-9-6-5-7-10-13-15(17)18-2/h6,9,14,16H,3-5,7-8,10-13H2,1-2H3/b9-6+
InChIKeyIVNSTDLUOKUYTH-RMKNXTFCSA-N
MW256.39 g/mol
LogP3.61
Rot. Bonds11

About methyl (E)-9-hydroxytetradec-6-enoate

methyl (E)-9-hydroxytetradec-6-enoate (PubChem CID 156581365) has the molecular formula C15H28O3 and a molecular weight of 256.39 g/mol. Its IUPAC name is methyl (E)-9-hydroxytetradec-6-enoate.

Molecular Properties

Compound Namemethyl (E)-9-hydroxytetradec-6-enoate
PubChem CID156581365
Molecular FormulaC15H28O3
Molecular Weight256.39 g/mol
Exact Mass256.20
IUPAC Namemethyl (E)-9-hydroxytetradec-6-enoate
SMILESCCCCCC(O)C/C=C/CCCCC(=O)OC
InChIInChI=1S/C15H28O3/c1-3-4-8-11-14(16)12-9-6-5-7-10-13-15(17)18-2/h6,9,14,16H,3-5,7-8,10-13H2,1-2H3/b9-6+
InChIKeyIVNSTDLUOKUYTH-RMKNXTFCSA-N
XLogP3.61
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.61
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'}

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Related Compounds

methyl (Z,12R)-12-hydroxyoctadec-9-enoate
CID 5354133
CID 175883907
CID 175883907
[(Z,12R)-12-hydroxyoctadec-9-enoyl] (Z)-12-hydroxyoctadec-9-enoate
CID 87086413
methyl (Z)-9-hydroxyoctadec-12-enoate
CID 13406970
[(Z)-octadec-9-enoyl] (Z)-12-hydroxyoctadec-9-enoate
CID 6432879
ethyl (Z,12R)-12-hydroxyoctadec-9-enoate
CID 6437405
pentadecyl (Z,12R)-12-hydroxyoctadec-9-enoate
CID 88647381
[(E)-octadec-9-enyl] (Z,12R)-12-hydroxyoctadec-9-enoate
CID 124524443
[(Z,12R)-12-hydroxyoctadec-9-enyl] octatriacontanoate
CID 168953362
[(Z,12R)-12-hydroxyoctadec-9-enyl] hexadecanoate
CID 168953438
docosyl 12-hydroxyoctadec-9-enoate
CID 53436564
undecyl (Z,12R)-12-hydroxyoctadec-9-enoate
CID 87642834

Frequently Asked Questions

What is the IUPAC name of methyl (E)-9-hydroxytetradec-6-enoate?
The IUPAC name of methyl (E)-9-hydroxytetradec-6-enoate (CID 156581365) is methyl (E)-9-hydroxytetradec-6-enoate.
What is the SMILES notation for methyl (E)-9-hydroxytetradec-6-enoate?
The canonical SMILES for methyl (E)-9-hydroxytetradec-6-enoate is CCCCCC(O)C/C=C/CCCCC(=O)OC.
What is the InChIKey of methyl (E)-9-hydroxytetradec-6-enoate?
The InChIKey is IVNSTDLUOKUYTH-RMKNXTFCSA-N. The full InChI is InChI=1S/C15H28O3/c1-3-4-8-11-14(16)12-9-6-5-7-10-13-15(17)18-2/h6,9,14,16H,3-5,7-8,10-13H2,1-2H3/b9-6+.
What are the key properties of methyl (E)-9-hydroxytetradec-6-enoate?
methyl (E)-9-hydroxytetradec-6-enoate has a molecular weight of 256.39 g/mol, XLogP of 3.61, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-9-hydroxytetradec-6-enoate is sourced from PubChem (CID 156581365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).