methyl 10-hydroxydecanoate

C11H22O3 — CID 520259

IUPACmethyl 10-hydroxydecanoate
SMILESCOC(=O)CCCCCCCCCO
InChIInChI=1S/C11H22O3/c1-14-11(13)9-7-5-3-2-4-6-8-10-12/h12H,2-10H2,1H3
InChIKeyNFJQGHRDVMDLKM-UHFFFAOYSA-N
MW202.29 g/mol
LogP2.27
Rot. Bonds9

About methyl 10-hydroxydecanoate

methyl 10-hydroxydecanoate (PubChem CID 520259) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is methyl 10-hydroxydecanoate.

Molecular Properties

Compound Namemethyl 10-hydroxydecanoate
PubChem CID520259
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Namemethyl 10-hydroxydecanoate
SMILESCOC(=O)CCCCCCCCCO
InChIInChI=1S/C11H22O3/c1-14-11(13)9-7-5-3-2-4-6-8-10-12/h12H,2-10H2,1H3
InChIKeyNFJQGHRDVMDLKM-UHFFFAOYSA-N
XLogP2.27
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 52.27
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 10-hydroxydecanoate?
The IUPAC name of methyl 10-hydroxydecanoate (CID 520259) is methyl 10-hydroxydecanoate.
What is the SMILES notation for methyl 10-hydroxydecanoate?
The canonical SMILES for methyl 10-hydroxydecanoate is COC(=O)CCCCCCCCCO.
What is the InChIKey of methyl 10-hydroxydecanoate?
The InChIKey is NFJQGHRDVMDLKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3/c1-14-11(13)9-7-5-3-2-4-6-8-10-12/h12H,2-10H2,1H3.
What are the key properties of methyl 10-hydroxydecanoate?
methyl 10-hydroxydecanoate has a molecular weight of 202.29 g/mol, XLogP of 2.27, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 10-hydroxydecanoate is sourced from PubChem (CID 520259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).