methyl 16-hydroxyhexadecanoate

C17H34O3 — CID 3496888

IUPACmethyl 16-hydroxyhexadecanoate
SMILESCOC(=O)CCCCCCCCCCCCCCCO
InChIInChI=1S/C17H34O3/c1-20-17(19)15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18/h18H,2-16H2,1H3
InChIKeyAOTMRIXFFOGWDT-UHFFFAOYSA-N
MW286.46 g/mol
LogP4.61
Rot. Bonds15

About methyl 16-hydroxyhexadecanoate

methyl 16-hydroxyhexadecanoate (PubChem CID 3496888) has the molecular formula C17H34O3 and a molecular weight of 286.46 g/mol. Its IUPAC name is methyl 16-hydroxyhexadecanoate.

Molecular Properties

Compound Namemethyl 16-hydroxyhexadecanoate
PubChem CID3496888
Molecular FormulaC17H34O3
Molecular Weight286.46 g/mol
Exact Mass286.25
IUPAC Namemethyl 16-hydroxyhexadecanoate
SMILESCOC(=O)CCCCCCCCCCCCCCCO
InChIInChI=1S/C17H34O3/c1-20-17(19)15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18/h18H,2-16H2,1H3
InChIKeyAOTMRIXFFOGWDT-UHFFFAOYSA-N
XLogP4.61
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 54.61
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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Frequently Asked Questions

What is the IUPAC name of methyl 16-hydroxyhexadecanoate?
The IUPAC name of methyl 16-hydroxyhexadecanoate (CID 3496888) is methyl 16-hydroxyhexadecanoate.
What is the SMILES notation for methyl 16-hydroxyhexadecanoate?
The canonical SMILES for methyl 16-hydroxyhexadecanoate is COC(=O)CCCCCCCCCCCCCCCO.
What is the InChIKey of methyl 16-hydroxyhexadecanoate?
The InChIKey is AOTMRIXFFOGWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O3/c1-20-17(19)15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18/h18H,2-16H2,1H3.
What are the key properties of methyl 16-hydroxyhexadecanoate?
methyl 16-hydroxyhexadecanoate has a molecular weight of 286.46 g/mol, XLogP of 4.61, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 16-hydroxyhexadecanoate is sourced from PubChem (CID 3496888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).