benzyl 11-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]undecanoate

C26H48O3Si2 — CID 176610533

IUPACbenzyl 11-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]undecanoate
SMILESCCCC[Si](C)(C)O[Si](C)(C)CCCCCCCCCCC(=O)OCc1ccccc1
InChIInChI=1S/C26H48O3Si2/c1-6-7-22-30(2,3)29-31(4,5)23-18-13-11-9-8-10-12-17-21-26(27)28-24-25-19-15-14-16-20-25/h14-16,19-20H,6-13,17-18,21-24H2,1-5H3
InChIKeyULRQPXJYXCYKGY-UHFFFAOYSA-N
MW464.84 g/mol
LogP8.47
Rot. Bonds18

About benzyl 11-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]undecanoate

benzyl 11-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]undecanoate (PubChem CID 176610533) has the molecular formula C26H48O3Si2 and a molecular weight of 464.84 g/mol. Its IUPAC name is benzyl 11-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]undecanoate.

Molecular Properties

Compound Namebenzyl 11-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]undecanoate
PubChem CID176610533
Molecular FormulaC26H48O3Si2
Molecular Weight464.84 g/mol
Exact Mass464.31
IUPAC Namebenzyl 11-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]undecanoate
SMILESCCCC[Si](C)(C)O[Si](C)(C)CCCCCCCCCCC(=O)OCc1ccccc1
InChIInChI=1S/C26H48O3Si2/c1-6-7-22-30(2,3)29-31(4,5)23-18-13-11-9-8-10-12-17-21-26(27)28-24-25-19-15-14-16-20-25/h14-16,19-20H,6-13,17-18,21-24H2,1-5H3
InChIKeyULRQPXJYXCYKGY-UHFFFAOYSA-N
XLogP8.47
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.84
LogP ≤ 58.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze benzyl 11-[[butyl(dimethyl)silyl]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

Related Compounds

benzyl 4-[[dimethyl(4-phenylbutyl)silyl]oxy-dimethylsilyl]butanoate
CID 140798885
benzyl heptadecanoate
CID 522569
benzyl decanoate;N,N-dimethylmethanamine
CID 175539518
7-aminoheptanoic acid;benzyl octanoate
CID 160732749
benzyl 12-oxotridecanoate
CID 21035822
26-oxo-26-phenylmethoxyhexacosanoic acid
CID 155487553
benzyl 12-methoxyoctadecanoate
CID 174381311
benzyl (9Z,12Z)-octadeca-9,12-dienoate
CID 5368290
4-O-benzyl 1-O-octyl butanedioate
CID 528266
benzyl 6-hydroxydecanoate
CID 154601453
benzyl 12-hexanoyloxyoctadecanoate
CID 171545043
benzyl hexanoate;trifluoromethanesulfonic acid
CID 175173676

Frequently Asked Questions

What is the IUPAC name of benzyl 11-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]undecanoate?
The IUPAC name of benzyl 11-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]undecanoate (CID 176610533) is benzyl 11-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]undecanoate.
What is the SMILES notation for benzyl 11-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]undecanoate?
The canonical SMILES for benzyl 11-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]undecanoate is CCCC[Si](C)(C)O[Si](C)(C)CCCCCCCCCCC(=O)OCc1ccccc1.
What is the InChIKey of benzyl 11-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]undecanoate?
The InChIKey is ULRQPXJYXCYKGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H48O3Si2/c1-6-7-22-30(2,3)29-31(4,5)23-18-13-11-9-8-10-12-17-21-26(27)28-24-25-19-15-14-16-20-25/h14-16,19-20H,6-13,17-18,21-24H2,1-5H3.
What are the key properties of benzyl 11-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]undecanoate?
benzyl 11-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]undecanoate has a molecular weight of 464.84 g/mol, XLogP of 8.47, 18 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 11-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]undecanoate is sourced from PubChem (CID 176610533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).