methyl (5R)-5-methoxytetracosanoate

C26H52O3 — CID 163040349

IUPACmethyl (5R)-5-methoxytetracosanoate
SMILESCCCCCCCCCCCCCCCCCCC[C@H](CCCC(=O)OC)OC
InChIInChI=1S/C26H52O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-25(28-2)23-21-24-26(27)29-3/h25H,4-24H2,1-3H3/t25-/m1/s1
InChIKeyYHJWRHVSGDEMIQ-RUZDIDTESA-N
MW412.70 g/mol
LogP8.39
Rot. Bonds23

About methyl (5R)-5-methoxytetracosanoate

methyl (5R)-5-methoxytetracosanoate (PubChem CID 163040349) has the molecular formula C26H52O3 and a molecular weight of 412.70 g/mol. Its IUPAC name is methyl (5R)-5-methoxytetracosanoate.

Molecular Properties

Compound Namemethyl (5R)-5-methoxytetracosanoate
PubChem CID163040349
Molecular FormulaC26H52O3
Molecular Weight412.70 g/mol
Exact Mass412.39
IUPAC Namemethyl (5R)-5-methoxytetracosanoate
SMILESCCCCCCCCCCCCCCCCCCC[C@H](CCCC(=O)OC)OC
InChIInChI=1S/C26H52O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-25(28-2)23-21-24-26(27)29-3/h25H,4-24H2,1-3H3/t25-/m1/s1
InChIKeyYHJWRHVSGDEMIQ-RUZDIDTESA-N
XLogP8.39
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds23
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.70
LogP ≤ 58.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl (5R)-5-methoxytetracosanoate 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 (5R)-5-methoxytetracosanoate?
The IUPAC name of methyl (5R)-5-methoxytetracosanoate (CID 163040349) is methyl (5R)-5-methoxytetracosanoate.
What is the SMILES notation for methyl (5R)-5-methoxytetracosanoate?
The canonical SMILES for methyl (5R)-5-methoxytetracosanoate is CCCCCCCCCCCCCCCCCCC[C@H](CCCC(=O)OC)OC.
What is the InChIKey of methyl (5R)-5-methoxytetracosanoate?
The InChIKey is YHJWRHVSGDEMIQ-RUZDIDTESA-N. The full InChI is InChI=1S/C26H52O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-25(28-2)23-21-24-26(27)29-3/h25H,4-24H2,1-3H3/t25-/m1/s1.
What are the key properties of methyl (5R)-5-methoxytetracosanoate?
methyl (5R)-5-methoxytetracosanoate has a molecular weight of 412.70 g/mol, XLogP of 8.39, 23 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (5R)-5-methoxytetracosanoate is sourced from PubChem (CID 163040349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).