tributyl-(3-methylphenoxy)silane

C19H34OSi — CID 532566

IUPACtributyl-(3-methylphenoxy)silane
SMILESCCCC[Si](CCCC)(CCCC)Oc1cccc(C)c1
InChIInChI=1S/C19H34OSi/c1-5-8-14-21(15-9-6-2,16-10-7-3)20-19-13-11-12-18(4)17-19/h11-13,17H,5-10,14-16H2,1-4H3
InChIKeyAZCKTWQVAVUXTA-UHFFFAOYSA-N
MW306.57 g/mol
LogP6.72
Rot. Bonds11

About tributyl-(3-methylphenoxy)silane

tributyl-(3-methylphenoxy)silane (PubChem CID 532566) has the molecular formula C19H34OSi and a molecular weight of 306.57 g/mol. Its IUPAC name is tributyl-(3-methylphenoxy)silane.

Molecular Properties

Compound Nametributyl-(3-methylphenoxy)silane
PubChem CID532566
Molecular FormulaC19H34OSi
Molecular Weight306.57 g/mol
Exact Mass306.24
IUPAC Nametributyl-(3-methylphenoxy)silane
SMILESCCCC[Si](CCCC)(CCCC)Oc1cccc(C)c1
InChIInChI=1S/C19H34OSi/c1-5-8-14-21(15-9-6-2,16-10-7-3)20-19-13-11-12-18(4)17-19/h11-13,17H,5-10,14-16H2,1-4H3
InChIKeyAZCKTWQVAVUXTA-UHFFFAOYSA-N
XLogP6.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.57
LogP ≤ 56.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tributyl-(3-methylphenoxy)silane?
The IUPAC name of tributyl-(3-methylphenoxy)silane (CID 532566) is tributyl-(3-methylphenoxy)silane.
What is the SMILES notation for tributyl-(3-methylphenoxy)silane?
The canonical SMILES for tributyl-(3-methylphenoxy)silane is CCCC[Si](CCCC)(CCCC)Oc1cccc(C)c1.
What is the InChIKey of tributyl-(3-methylphenoxy)silane?
The InChIKey is AZCKTWQVAVUXTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34OSi/c1-5-8-14-21(15-9-6-2,16-10-7-3)20-19-13-11-12-18(4)17-19/h11-13,17H,5-10,14-16H2,1-4H3.
What are the key properties of tributyl-(3-methylphenoxy)silane?
tributyl-(3-methylphenoxy)silane has a molecular weight of 306.57 g/mol, XLogP of 6.72, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-(3-methylphenoxy)silane is sourced from PubChem (CID 532566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).