methyl 14-hydroxypentadecanoate

C16H32O3 — CID 13111893

IUPACmethyl 14-hydroxypentadecanoate
SMILESCOC(=O)CCCCCCCCCCCCC(C)O
InChIInChI=1S/C16H32O3/c1-15(17)13-11-9-7-5-3-4-6-8-10-12-14-16(18)19-2/h15,17H,3-14H2,1-2H3
InChIKeyBBUCKLDUWZJDFD-UHFFFAOYSA-N
MW272.43 g/mol
LogP4.22
Rot. Bonds13

About methyl 14-hydroxypentadecanoate

methyl 14-hydroxypentadecanoate (PubChem CID 13111893) has the molecular formula C16H32O3 and a molecular weight of 272.43 g/mol. Its IUPAC name is methyl 14-hydroxypentadecanoate.

Molecular Properties

Compound Namemethyl 14-hydroxypentadecanoate
PubChem CID13111893
Molecular FormulaC16H32O3
Molecular Weight272.43 g/mol
Exact Mass272.24
IUPAC Namemethyl 14-hydroxypentadecanoate
SMILESCOC(=O)CCCCCCCCCCCCC(C)O
InChIInChI=1S/C16H32O3/c1-15(17)13-11-9-7-5-3-4-6-8-10-12-14-16(18)19-2/h15,17H,3-14H2,1-2H3
InChIKeyBBUCKLDUWZJDFD-UHFFFAOYSA-N
XLogP4.22
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.43
LogP ≤ 54.22
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

methyl 9-hydroxydecanoate
CID 530430
methyl (7R)-7-hydroxyoctanoate
CID 13111883
methyl 18,18-dihydroxyoctadecanoate
CID 151355235
methyl 21-methyldocosanoate
CID 14178788
methyl 8-hydroxy-7-methylnonanoate
CID 90765466
dimethyl dotriacontanedioate
CID 14325565
bis(dimethyl decanedioate);dimethyl hexanedioate
CID 90703426
dimethyl tricosanedioate
CID 12632762
dimethyl 4-methyltetradecanedioate
CID 87116988
dimethyl 3-methylnonadecanedioate
CID 89439795
methyl (18R)-18-methylicosanoate
CID 102237844
(2R)-2-hydroxy-9-methoxy-9-oxononanoic acid
CID 129391242

Frequently Asked Questions

What is the IUPAC name of methyl 14-hydroxypentadecanoate?
The IUPAC name of methyl 14-hydroxypentadecanoate (CID 13111893) is methyl 14-hydroxypentadecanoate.
What is the SMILES notation for methyl 14-hydroxypentadecanoate?
The canonical SMILES for methyl 14-hydroxypentadecanoate is COC(=O)CCCCCCCCCCCCC(C)O.
What is the InChIKey of methyl 14-hydroxypentadecanoate?
The InChIKey is BBUCKLDUWZJDFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O3/c1-15(17)13-11-9-7-5-3-4-6-8-10-12-14-16(18)19-2/h15,17H,3-14H2,1-2H3.
What are the key properties of methyl 14-hydroxypentadecanoate?
methyl 14-hydroxypentadecanoate has a molecular weight of 272.43 g/mol, XLogP of 4.22, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 14-hydroxypentadecanoate is sourced from PubChem (CID 13111893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).