methyl 5-hydroxydecanoate

C11H22O3 — CID 14029718

IUPACmethyl 5-hydroxydecanoate
SMILESCCCCCC(O)CCCC(=O)OC
InChIInChI=1S/C11H22O3/c1-3-4-5-7-10(12)8-6-9-11(13)14-2/h10,12H,3-9H2,1-2H3
InChIKeyKJAPWGDDKZVZNV-UHFFFAOYSA-N
MW202.29 g/mol
LogP2.27
Rot. Bonds8

About methyl 5-hydroxydecanoate

methyl 5-hydroxydecanoate (PubChem CID 14029718) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is methyl 5-hydroxydecanoate.

Molecular Properties

Compound Namemethyl 5-hydroxydecanoate
PubChem CID14029718
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Namemethyl 5-hydroxydecanoate
SMILESCCCCCC(O)CCCC(=O)OC
InChIInChI=1S/C11H22O3/c1-3-4-5-7-10(12)8-6-9-11(13)14-2/h10,12H,3-9H2,1-2H3
InChIKeyKJAPWGDDKZVZNV-UHFFFAOYSA-N
XLogP2.27
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
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'}

Analyze methyl 5-hydroxydecanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 5-hydroxydecanoate?
The IUPAC name of methyl 5-hydroxydecanoate (CID 14029718) is methyl 5-hydroxydecanoate.
What is the SMILES notation for methyl 5-hydroxydecanoate?
The canonical SMILES for methyl 5-hydroxydecanoate is CCCCCC(O)CCCC(=O)OC.
What is the InChIKey of methyl 5-hydroxydecanoate?
The InChIKey is KJAPWGDDKZVZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3/c1-3-4-5-7-10(12)8-6-9-11(13)14-2/h10,12H,3-9H2,1-2H3.
What are the key properties of methyl 5-hydroxydecanoate?
methyl 5-hydroxydecanoate has a molecular weight of 202.29 g/mol, XLogP of 2.27, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-hydroxydecanoate is sourced from PubChem (CID 14029718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).