methyl 13-hydroxy-14-methoxytetradecanoate

C16H32O4 — CID 154249290

IUPACmethyl 13-hydroxy-14-methoxytetradecanoate
SMILESCOCC(O)CCCCCCCCCCCC(=O)OC
InChIInChI=1S/C16H32O4/c1-19-14-15(17)12-10-8-6-4-3-5-7-9-11-13-16(18)20-2/h15,17H,3-14H2,1-2H3
InChIKeyAVZLSTWHEZAZDB-UHFFFAOYSA-N
MW288.43 g/mol
LogP3.46
Rot. Bonds14

About methyl 13-hydroxy-14-methoxytetradecanoate

methyl 13-hydroxy-14-methoxytetradecanoate (PubChem CID 154249290) has the molecular formula C16H32O4 and a molecular weight of 288.43 g/mol. Its IUPAC name is methyl 13-hydroxy-14-methoxytetradecanoate.

Molecular Properties

Compound Namemethyl 13-hydroxy-14-methoxytetradecanoate
PubChem CID154249290
Molecular FormulaC16H32O4
Molecular Weight288.43 g/mol
Exact Mass288.23
IUPAC Namemethyl 13-hydroxy-14-methoxytetradecanoate
SMILESCOCC(O)CCCCCCCCCCCC(=O)OC
InChIInChI=1S/C16H32O4/c1-19-14-15(17)12-10-8-6-4-3-5-7-9-11-13-16(18)20-2/h15,17H,3-14H2,1-2H3
InChIKeyAVZLSTWHEZAZDB-UHFFFAOYSA-N
XLogP3.46
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl (9R)-9-hydroxydocosanoate
CID 134814034
methyl 10,18-dihydroxyoctadecanoate
CID 129219404
methyl 8-hydroxyhexadecanoate
CID 11323641
methyl 9-hydroxyoctadecanoate
CID 593159
methyl 11-bromo-10-hydroxyundecanoate
CID 13032690
methyl (9S)-9,16-dihydroxyhexadecanoate
CID 162875043
methyl (11S)-11-hydroxyhexadecanoate
CID 10493478
methyl 18,18-dihydroxyoctadecanoate
CID 151355235
methyl (12S,15S)-12,15-dihydroxydocosanoate
CID 10475282
methyl (6R)-6,8-dihydroxyoctanoate
CID 10442514
methyl 9-hydroxydecanoate
CID 530430
methyl (7R)-7-hydroxyoctanoate
CID 13111883

Frequently Asked Questions

What is the IUPAC name of methyl 13-hydroxy-14-methoxytetradecanoate?
The IUPAC name of methyl 13-hydroxy-14-methoxytetradecanoate (CID 154249290) is methyl 13-hydroxy-14-methoxytetradecanoate.
What is the SMILES notation for methyl 13-hydroxy-14-methoxytetradecanoate?
The canonical SMILES for methyl 13-hydroxy-14-methoxytetradecanoate is COCC(O)CCCCCCCCCCCC(=O)OC.
What is the InChIKey of methyl 13-hydroxy-14-methoxytetradecanoate?
The InChIKey is AVZLSTWHEZAZDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O4/c1-19-14-15(17)12-10-8-6-4-3-5-7-9-11-13-16(18)20-2/h15,17H,3-14H2,1-2H3.
What are the key properties of methyl 13-hydroxy-14-methoxytetradecanoate?
methyl 13-hydroxy-14-methoxytetradecanoate has a molecular weight of 288.43 g/mol, XLogP of 3.46, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 13-hydroxy-14-methoxytetradecanoate is sourced from PubChem (CID 154249290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).