methyl 11-hydroxyundecanoate

C12H24O3 — CID 525065

IUPACmethyl 11-hydroxyundecanoate
SMILESCOC(=O)CCCCCCCCCCO
InChIInChI=1S/C12H24O3/c1-15-12(14)10-8-6-4-2-3-5-7-9-11-13/h13H,2-11H2,1H3
InChIKeyVASIFKMMXNGAGN-UHFFFAOYSA-N
MW216.32 g/mol
LogP2.66
Rot. Bonds10

About methyl 11-hydroxyundecanoate

methyl 11-hydroxyundecanoate (PubChem CID 525065) has the molecular formula C12H24O3 and a molecular weight of 216.32 g/mol. Its IUPAC name is methyl 11-hydroxyundecanoate.

Molecular Properties

Compound Namemethyl 11-hydroxyundecanoate
PubChem CID525065
Molecular FormulaC12H24O3
Molecular Weight216.32 g/mol
Exact Mass216.17
IUPAC Namemethyl 11-hydroxyundecanoate
SMILESCOC(=O)CCCCCCCCCCO
InChIInChI=1S/C12H24O3/c1-15-12(14)10-8-6-4-2-3-5-7-9-11-13/h13H,2-11H2,1H3
InChIKeyVASIFKMMXNGAGN-UHFFFAOYSA-N
XLogP2.66
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 52.66
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 11-hydroxyundecanoate?
The IUPAC name of methyl 11-hydroxyundecanoate (CID 525065) is methyl 11-hydroxyundecanoate.
What is the SMILES notation for methyl 11-hydroxyundecanoate?
The canonical SMILES for methyl 11-hydroxyundecanoate is COC(=O)CCCCCCCCCCO.
What is the InChIKey of methyl 11-hydroxyundecanoate?
The InChIKey is VASIFKMMXNGAGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O3/c1-15-12(14)10-8-6-4-2-3-5-7-9-11-13/h13H,2-11H2,1H3.
What are the key properties of methyl 11-hydroxyundecanoate?
methyl 11-hydroxyundecanoate has a molecular weight of 216.32 g/mol, XLogP of 2.66, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 11-hydroxyundecanoate is sourced from PubChem (CID 525065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).