methyl 14-hydroxytetradecanoate

C15H30O3 — CID 13245690

IUPACmethyl 14-hydroxytetradecanoate
SMILESCOC(=O)CCCCCCCCCCCCCO
InChIInChI=1S/C15H30O3/c1-18-15(17)13-11-9-7-5-3-2-4-6-8-10-12-14-16/h16H,2-14H2,1H3
InChIKeyVBKONVSYRQSMHY-UHFFFAOYSA-N
MW258.40 g/mol
LogP3.83
Rot. Bonds13

About methyl 14-hydroxytetradecanoate

methyl 14-hydroxytetradecanoate (PubChem CID 13245690) has the molecular formula C15H30O3 and a molecular weight of 258.40 g/mol. Its IUPAC name is methyl 14-hydroxytetradecanoate.

Molecular Properties

Compound Namemethyl 14-hydroxytetradecanoate
PubChem CID13245690
Molecular FormulaC15H30O3
Molecular Weight258.40 g/mol
Exact Mass258.22
IUPAC Namemethyl 14-hydroxytetradecanoate
SMILESCOC(=O)CCCCCCCCCCCCCO
InChIInChI=1S/C15H30O3/c1-18-15(17)13-11-9-7-5-3-2-4-6-8-10-12-14-16/h16H,2-14H2,1H3
InChIKeyVBKONVSYRQSMHY-UHFFFAOYSA-N
XLogP3.83
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.40
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

bis(dimethyl decanedioate);dimethyl hexanedioate
CID 90703426
dimethyl dotriacontanedioate
CID 14325565
methyl 6-(9-hydroxynonoxy)hexanoate
CID 139893543
dimethyl tricosanedioate
CID 12632762
methyl 15-hydroxy-12-oxopentadecanoate
CID 18183464
methyl 12-hydroxydodecanoate;methyl 12-oxododecanoate
CID 162225172
methyl (9R,10R)-9,10,16-trihydroxyhexadecanoate
CID 10687049
methyl 10,18-dihydroxyoctadecanoate
CID 129219404
methyl (9S)-9,16-dihydroxyhexadecanoate
CID 162875043
dimethyl hexanedioate;λ2-stannane
CID 173290075
dimethyl hexanedioate;stannane
CID 173290076
dimethyl 9-oxooctadecanedioate
CID 544455

Frequently Asked Questions

What is the IUPAC name of methyl 14-hydroxytetradecanoate?
The IUPAC name of methyl 14-hydroxytetradecanoate (CID 13245690) is methyl 14-hydroxytetradecanoate.
What is the SMILES notation for methyl 14-hydroxytetradecanoate?
The canonical SMILES for methyl 14-hydroxytetradecanoate is COC(=O)CCCCCCCCCCCCCO.
What is the InChIKey of methyl 14-hydroxytetradecanoate?
The InChIKey is VBKONVSYRQSMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O3/c1-18-15(17)13-11-9-7-5-3-2-4-6-8-10-12-14-16/h16H,2-14H2,1H3.
What are the key properties of methyl 14-hydroxytetradecanoate?
methyl 14-hydroxytetradecanoate has a molecular weight of 258.40 g/mol, XLogP of 3.83, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 14-hydroxytetradecanoate is sourced from PubChem (CID 13245690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).