butyl-[2-[[butyl(dimethyl)silyl]oxymethyl]-4-methyl-2-(2-methylpropyl)pentoxy]-dimethylsilane

C23H52O2Si2 — CID 87774687

IUPACbutyl-[2-[[butyl(dimethyl)silyl]oxymethyl]-4-methyl-2-(2-methylpropyl)pentoxy]-dimethylsilane
SMILESCCCC[Si](C)(C)OCC(CO[Si](C)(C)CCCC)(CC(C)C)CC(C)C
InChIInChI=1S/C23H52O2Si2/c1-11-13-15-26(7,8)24-19-23(17-21(3)4,18-22(5)6)20-25-27(9,10)16-14-12-2/h21-22H,11-20H2,1-10H3
InChIKeyXHNDRKRZPFVFHK-UHFFFAOYSA-N
MW416.84 g/mol
LogP8.11
Rot. Bonds16

About butyl-[2-[[butyl(dimethyl)silyl]oxymethyl]-4-methyl-2-(2-methylpropyl)pentoxy]-dimethylsilane

butyl-[2-[[butyl(dimethyl)silyl]oxymethyl]-4-methyl-2-(2-methylpropyl)pentoxy]-dimethylsilane (PubChem CID 87774687) has the molecular formula C23H52O2Si2 and a molecular weight of 416.84 g/mol. Its IUPAC name is butyl-[2-[[butyl(dimethyl)silyl]oxymethyl]-4-methyl-2-(2-methylpropyl)pentoxy]-dimethylsilane.

Molecular Properties

Compound Namebutyl-[2-[[butyl(dimethyl)silyl]oxymethyl]-4-methyl-2-(2-methylpropyl)pentoxy]-dimethylsilane
PubChem CID87774687
Molecular FormulaC23H52O2Si2
Molecular Weight416.84 g/mol
Exact Mass416.35
IUPAC Namebutyl-[2-[[butyl(dimethyl)silyl]oxymethyl]-4-methyl-2-(2-methylpropyl)pentoxy]-dimethylsilane
SMILESCCCC[Si](C)(C)OCC(CO[Si](C)(C)CCCC)(CC(C)C)CC(C)C
InChIInChI=1S/C23H52O2Si2/c1-11-13-15-26(7,8)24-19-23(17-21(3)4,18-22(5)6)20-25-27(9,10)16-14-12-2/h21-22H,11-20H2,1-10H3
InChIKeyXHNDRKRZPFVFHK-UHFFFAOYSA-N
XLogP8.11
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.84
LogP ≤ 58.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze butyl-[2-[[butyl(dimethyl)silyl]oxymethyl]-4-methyl-2-(2-methylpropyl)pentoxy]-dimethylsilane 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 butyl-[2-[[butyl(dimethyl)silyl]oxymethyl]-4-methyl-2-(2-methylpropyl)pentoxy]-dimethylsilane?
The IUPAC name of butyl-[2-[[butyl(dimethyl)silyl]oxymethyl]-4-methyl-2-(2-methylpropyl)pentoxy]-dimethylsilane (CID 87774687) is butyl-[2-[[butyl(dimethyl)silyl]oxymethyl]-4-methyl-2-(2-methylpropyl)pentoxy]-dimethylsilane.
What is the SMILES notation for butyl-[2-[[butyl(dimethyl)silyl]oxymethyl]-4-methyl-2-(2-methylpropyl)pentoxy]-dimethylsilane?
The canonical SMILES for butyl-[2-[[butyl(dimethyl)silyl]oxymethyl]-4-methyl-2-(2-methylpropyl)pentoxy]-dimethylsilane is CCCC[Si](C)(C)OCC(CO[Si](C)(C)CCCC)(CC(C)C)CC(C)C.
What is the InChIKey of butyl-[2-[[butyl(dimethyl)silyl]oxymethyl]-4-methyl-2-(2-methylpropyl)pentoxy]-dimethylsilane?
The InChIKey is XHNDRKRZPFVFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H52O2Si2/c1-11-13-15-26(7,8)24-19-23(17-21(3)4,18-22(5)6)20-25-27(9,10)16-14-12-2/h21-22H,11-20H2,1-10H3.
What are the key properties of butyl-[2-[[butyl(dimethyl)silyl]oxymethyl]-4-methyl-2-(2-methylpropyl)pentoxy]-dimethylsilane?
butyl-[2-[[butyl(dimethyl)silyl]oxymethyl]-4-methyl-2-(2-methylpropyl)pentoxy]-dimethylsilane has a molecular weight of 416.84 g/mol, XLogP of 8.11, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-[2-[[butyl(dimethyl)silyl]oxymethyl]-4-methyl-2-(2-methylpropyl)pentoxy]-dimethylsilane is sourced from PubChem (CID 87774687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).