methyl 11-[[(11-methoxy-11-oxoundecyl)-dimethylsilyl]oxy-dimethylsilyl]undecanoate

C28H58O5Si2 — CID 22278210

IUPACmethyl 11-[[(11-methoxy-11-oxoundecyl)-dimethylsilyl]oxy-dimethylsilyl]undecanoate
SMILESCOC(=O)CCCCCCCCCC[Si](C)(C)O[Si](C)(C)CCCCCCCCCCC(=O)OC
InChIInChI=1S/C28H58O5Si2/c1-31-27(29)23-19-15-11-7-9-13-17-21-25-34(3,4)33-35(5,6)26-22-18-14-10-8-12-16-20-24-28(30)32-2/h7-26H2,1-6H3
InChIKeyRAXVTFGYQAOLAV-UHFFFAOYSA-N
MW530.94 g/mol
LogP8.78
Rot. Bonds24

About methyl 11-[[(11-methoxy-11-oxoundecyl)-dimethylsilyl]oxy-dimethylsilyl]undecanoate

methyl 11-[[(11-methoxy-11-oxoundecyl)-dimethylsilyl]oxy-dimethylsilyl]undecanoate (PubChem CID 22278210) has the molecular formula C28H58O5Si2 and a molecular weight of 530.94 g/mol. Its IUPAC name is methyl 11-[[(11-methoxy-11-oxoundecyl)-dimethylsilyl]oxy-dimethylsilyl]undecanoate.

Molecular Properties

Compound Namemethyl 11-[[(11-methoxy-11-oxoundecyl)-dimethylsilyl]oxy-dimethylsilyl]undecanoate
PubChem CID22278210
Molecular FormulaC28H58O5Si2
Molecular Weight530.94 g/mol
Exact Mass530.38
IUPAC Namemethyl 11-[[(11-methoxy-11-oxoundecyl)-dimethylsilyl]oxy-dimethylsilyl]undecanoate
SMILESCOC(=O)CCCCCCCCCC[Si](C)(C)O[Si](C)(C)CCCCCCCCCCC(=O)OC
InChIInChI=1S/C28H58O5Si2/c1-31-27(29)23-19-15-11-7-9-13-17-21-25-34(3,4)33-35(5,6)26-22-18-14-10-8-12-16-20-24-28(30)32-2/h7-26H2,1-6H3
InChIKeyRAXVTFGYQAOLAV-UHFFFAOYSA-N
XLogP8.78
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds24
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.94
LogP ≤ 58.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 11-[[(11-methoxy-11-oxoundecyl)-dimethylsilyl]oxy-dimethylsilyl]undecanoate 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 11-[[(11-methoxy-11-oxoundecyl)-dimethylsilyl]oxy-dimethylsilyl]undecanoate?
The IUPAC name of methyl 11-[[(11-methoxy-11-oxoundecyl)-dimethylsilyl]oxy-dimethylsilyl]undecanoate (CID 22278210) is methyl 11-[[(11-methoxy-11-oxoundecyl)-dimethylsilyl]oxy-dimethylsilyl]undecanoate.
What is the SMILES notation for methyl 11-[[(11-methoxy-11-oxoundecyl)-dimethylsilyl]oxy-dimethylsilyl]undecanoate?
The canonical SMILES for methyl 11-[[(11-methoxy-11-oxoundecyl)-dimethylsilyl]oxy-dimethylsilyl]undecanoate is COC(=O)CCCCCCCCCC[Si](C)(C)O[Si](C)(C)CCCCCCCCCCC(=O)OC.
What is the InChIKey of methyl 11-[[(11-methoxy-11-oxoundecyl)-dimethylsilyl]oxy-dimethylsilyl]undecanoate?
The InChIKey is RAXVTFGYQAOLAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H58O5Si2/c1-31-27(29)23-19-15-11-7-9-13-17-21-25-34(3,4)33-35(5,6)26-22-18-14-10-8-12-16-20-24-28(30)32-2/h7-26H2,1-6H3.
What are the key properties of methyl 11-[[(11-methoxy-11-oxoundecyl)-dimethylsilyl]oxy-dimethylsilyl]undecanoate?
methyl 11-[[(11-methoxy-11-oxoundecyl)-dimethylsilyl]oxy-dimethylsilyl]undecanoate has a molecular weight of 530.94 g/mol, XLogP of 8.78, 24 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 11-[[(11-methoxy-11-oxoundecyl)-dimethylsilyl]oxy-dimethylsilyl]undecanoate is sourced from PubChem (CID 22278210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).