(2R)-2-hydroxy-9-methoxy-9-oxononanoic acid

C10H18O5 — CID 129391242

IUPAC(2R)-2-hydroxy-9-methoxy-9-oxononanoic acid
SMILESCOC(=O)CCCCCC[C@@H](O)C(=O)O
InChIInChI=1S/C10H18O5/c1-15-9(12)7-5-3-2-4-6-8(11)10(13)14/h8,11H,2-7H2,1H3,(H,13,14)/t8-/m1/s1
InChIKeyUSHRPOJZNLNKCU-MRVPVSSYSA-N
MW218.25 g/mol
LogP0.95
Rot. Bonds8

About (2R)-2-hydroxy-9-methoxy-9-oxononanoic acid

(2R)-2-hydroxy-9-methoxy-9-oxononanoic acid (PubChem CID 129391242) has the molecular formula C10H18O5 and a molecular weight of 218.25 g/mol. Its IUPAC name is (2R)-2-hydroxy-9-methoxy-9-oxononanoic acid.

Molecular Properties

Compound Name(2R)-2-hydroxy-9-methoxy-9-oxononanoic acid
PubChem CID129391242
Molecular FormulaC10H18O5
Molecular Weight218.25 g/mol
Exact Mass218.12
IUPAC Name(2R)-2-hydroxy-9-methoxy-9-oxononanoic acid
SMILESCOC(=O)CCCCCC[C@@H](O)C(=O)O
InChIInChI=1S/C10H18O5/c1-15-9(12)7-5-3-2-4-6-8(11)10(13)14/h8,11H,2-7H2,1H3,(H,13,14)/t8-/m1/s1
InChIKeyUSHRPOJZNLNKCU-MRVPVSSYSA-N
XLogP0.95
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2R)-2-hydroxy-9-methoxy-9-oxononanoic acid 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 18,18-dihydroxyoctadecanoate
CID 151355235
methyl (7R)-7-hydroxyoctanoate
CID 13111883
methyl 9-hydroxydecanoate
CID 530430
methyl 14-hydroxypentadecanoate
CID 13111893
dimethyl dotriacontanedioate
CID 14325565
bis(dimethyl decanedioate);dimethyl hexanedioate
CID 90703426
dimethyl tricosanedioate
CID 12632762
methyl 21-methyldocosanoate
CID 14178788
2-hydroxynonanedioic acid
CID 12760708
methyl 8-hydroxy-7-methylnonanoate
CID 90765466
(2S)-2-amino-7-methoxy-7-oxoheptanoic acid
CID 10679200
dimethyl 2-hydroxyhexanedioate
CID 13448463

Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-9-methoxy-9-oxononanoic acid?
The IUPAC name of (2R)-2-hydroxy-9-methoxy-9-oxononanoic acid (CID 129391242) is (2R)-2-hydroxy-9-methoxy-9-oxononanoic acid.
What is the SMILES notation for (2R)-2-hydroxy-9-methoxy-9-oxononanoic acid?
The canonical SMILES for (2R)-2-hydroxy-9-methoxy-9-oxononanoic acid is COC(=O)CCCCCC[C@@H](O)C(=O)O.
What is the InChIKey of (2R)-2-hydroxy-9-methoxy-9-oxononanoic acid?
The InChIKey is USHRPOJZNLNKCU-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H18O5/c1-15-9(12)7-5-3-2-4-6-8(11)10(13)14/h8,11H,2-7H2,1H3,(H,13,14)/t8-/m1/s1.
What are the key properties of (2R)-2-hydroxy-9-methoxy-9-oxononanoic acid?
(2R)-2-hydroxy-9-methoxy-9-oxononanoic acid has a molecular weight of 218.25 g/mol, XLogP of 0.95, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-9-methoxy-9-oxononanoic acid is sourced from PubChem (CID 129391242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).