methyl 9-hydroxydecanoate

C11H22O3 — CID 530430

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

About methyl 9-hydroxydecanoate

methyl 9-hydroxydecanoate (PubChem CID 530430) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is methyl 9-hydroxydecanoate.

Molecular Properties

Compound Namemethyl 9-hydroxydecanoate
PubChem CID530430
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Namemethyl 9-hydroxydecanoate
SMILESCOC(=O)CCCCCCCC(C)O
InChIInChI=1S/C11H22O3/c1-10(12)8-6-4-3-5-7-9-11(13)14-2/h10,12H,3-9H2,1-2H3
InChIKeyRXJKTNNEUMHOQZ-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 9-hydroxydecanoate with MolForge

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

Launch Full Analysis

Related Compounds

methyl 14-hydroxypentadecanoate
CID 13111893
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 9-hydroxydecanoate?
The IUPAC name of methyl 9-hydroxydecanoate (CID 530430) is methyl 9-hydroxydecanoate.
What is the SMILES notation for methyl 9-hydroxydecanoate?
The canonical SMILES for methyl 9-hydroxydecanoate is COC(=O)CCCCCCCC(C)O.
What is the InChIKey of methyl 9-hydroxydecanoate?
The InChIKey is RXJKTNNEUMHOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3/c1-10(12)8-6-4-3-5-7-9-11(13)14-2/h10,12H,3-9H2,1-2H3.
What are the key properties of methyl 9-hydroxydecanoate?
methyl 9-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 9-hydroxydecanoate is sourced from PubChem (CID 530430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).