tributyl(3-phenylpropoxy)silane

C21H38OSi — CID 624018

IUPACtributyl(3-phenylpropoxy)silane
SMILESCCCC[Si](CCCC)(CCCC)OCCCc1ccccc1
InChIInChI=1S/C21H38OSi/c1-4-7-18-23(19-8-5-2,20-9-6-3)22-17-13-16-21-14-11-10-12-15-21/h10-12,14-15H,4-9,13,16-20H2,1-3H3
InChIKeyQHBXPFBECYGHTC-UHFFFAOYSA-N
MW334.62 g/mol
LogP6.98
Rot. Bonds14

About tributyl(3-phenylpropoxy)silane

tributyl(3-phenylpropoxy)silane (PubChem CID 624018) has the molecular formula C21H38OSi and a molecular weight of 334.62 g/mol. Its IUPAC name is tributyl(3-phenylpropoxy)silane.

Molecular Properties

Compound Nametributyl(3-phenylpropoxy)silane
PubChem CID624018
Molecular FormulaC21H38OSi
Molecular Weight334.62 g/mol
Exact Mass334.27
IUPAC Nametributyl(3-phenylpropoxy)silane
SMILESCCCC[Si](CCCC)(CCCC)OCCCc1ccccc1
InChIInChI=1S/C21H38OSi/c1-4-7-18-23(19-8-5-2,20-9-6-3)22-17-13-16-21-14-11-10-12-15-21/h10-12,14-15H,4-9,13,16-20H2,1-3H3
InChIKeyQHBXPFBECYGHTC-UHFFFAOYSA-N
XLogP6.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.62
LogP ≤ 56.98
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 tributyl(3-phenylpropoxy)silane?
The IUPAC name of tributyl(3-phenylpropoxy)silane (CID 624018) is tributyl(3-phenylpropoxy)silane.
What is the SMILES notation for tributyl(3-phenylpropoxy)silane?
The canonical SMILES for tributyl(3-phenylpropoxy)silane is CCCC[Si](CCCC)(CCCC)OCCCc1ccccc1.
What is the InChIKey of tributyl(3-phenylpropoxy)silane?
The InChIKey is QHBXPFBECYGHTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38OSi/c1-4-7-18-23(19-8-5-2,20-9-6-3)22-17-13-16-21-14-11-10-12-15-21/h10-12,14-15H,4-9,13,16-20H2,1-3H3.
What are the key properties of tributyl(3-phenylpropoxy)silane?
tributyl(3-phenylpropoxy)silane has a molecular weight of 334.62 g/mol, XLogP of 6.98, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl(3-phenylpropoxy)silane is sourced from PubChem (CID 624018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).