tris(2-methylpropyl)-pentoxysilane

C17H38OSi — CID 599743

IUPACtris(2-methylpropyl)-pentoxysilane
SMILESCCCCCO[Si](CC(C)C)(CC(C)C)CC(C)C
InChIInChI=1S/C17H38OSi/c1-8-9-10-11-18-19(12-15(2)3,13-16(4)5)14-17(6)7/h15-17H,8-14H2,1-7H3
InChIKeyCRTFNAMYLSLZPT-UHFFFAOYSA-N
MW286.58 g/mol
LogP6.11
Rot. Bonds11

About tris(2-methylpropyl)-pentoxysilane

tris(2-methylpropyl)-pentoxysilane (PubChem CID 599743) has the molecular formula C17H38OSi and a molecular weight of 286.58 g/mol. Its IUPAC name is tris(2-methylpropyl)-pentoxysilane.

Molecular Properties

Compound Nametris(2-methylpropyl)-pentoxysilane
PubChem CID599743
Molecular FormulaC17H38OSi
Molecular Weight286.58 g/mol
Exact Mass286.27
IUPAC Nametris(2-methylpropyl)-pentoxysilane
SMILESCCCCCO[Si](CC(C)C)(CC(C)C)CC(C)C
InChIInChI=1S/C17H38OSi/c1-8-9-10-11-18-19(12-15(2)3,13-16(4)5)14-17(6)7/h15-17H,8-14H2,1-7H3
InChIKeyCRTFNAMYLSLZPT-UHFFFAOYSA-N
XLogP6.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.58
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tris(2-methylpropyl)-pentoxysilane?
The IUPAC name of tris(2-methylpropyl)-pentoxysilane (CID 599743) is tris(2-methylpropyl)-pentoxysilane.
What is the SMILES notation for tris(2-methylpropyl)-pentoxysilane?
The canonical SMILES for tris(2-methylpropyl)-pentoxysilane is CCCCCO[Si](CC(C)C)(CC(C)C)CC(C)C.
What is the InChIKey of tris(2-methylpropyl)-pentoxysilane?
The InChIKey is CRTFNAMYLSLZPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H38OSi/c1-8-9-10-11-18-19(12-15(2)3,13-16(4)5)14-17(6)7/h15-17H,8-14H2,1-7H3.
What are the key properties of tris(2-methylpropyl)-pentoxysilane?
tris(2-methylpropyl)-pentoxysilane has a molecular weight of 286.58 g/mol, XLogP of 6.11, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-methylpropyl)-pentoxysilane is sourced from PubChem (CID 599743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).