tributylsilyl 2-methylpropanoate

C16H34O2Si — CID 101197223

IUPACtributylsilyl 2-methylpropanoate
SMILESCCCC[Si](CCCC)(CCCC)OC(=O)C(C)C
InChIInChI=1S/C16H34O2Si/c1-6-9-12-19(13-10-7-2,14-11-8-3)18-16(17)15(4)5/h15H,6-14H2,1-5H3
InChIKeyNQNRLCXPKYFOLR-UHFFFAOYSA-N
MW286.53 g/mol
LogP5.53
Rot. Bonds11

About tributylsilyl 2-methylpropanoate

tributylsilyl 2-methylpropanoate (PubChem CID 101197223) has the molecular formula C16H34O2Si and a molecular weight of 286.53 g/mol. Its IUPAC name is tributylsilyl 2-methylpropanoate.

Molecular Properties

Compound Nametributylsilyl 2-methylpropanoate
PubChem CID101197223
Molecular FormulaC16H34O2Si
Molecular Weight286.53 g/mol
Exact Mass286.23
IUPAC Nametributylsilyl 2-methylpropanoate
SMILESCCCC[Si](CCCC)(CCCC)OC(=O)C(C)C
InChIInChI=1S/C16H34O2Si/c1-6-9-12-19(13-10-7-2,14-11-8-3)18-16(17)15(4)5/h15H,6-14H2,1-5H3
InChIKeyNQNRLCXPKYFOLR-UHFFFAOYSA-N
XLogP5.53
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.53
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 tributylsilyl 2-methylpropanoate?
The IUPAC name of tributylsilyl 2-methylpropanoate (CID 101197223) is tributylsilyl 2-methylpropanoate.
What is the SMILES notation for tributylsilyl 2-methylpropanoate?
The canonical SMILES for tributylsilyl 2-methylpropanoate is CCCC[Si](CCCC)(CCCC)OC(=O)C(C)C.
What is the InChIKey of tributylsilyl 2-methylpropanoate?
The InChIKey is NQNRLCXPKYFOLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O2Si/c1-6-9-12-19(13-10-7-2,14-11-8-3)18-16(17)15(4)5/h15H,6-14H2,1-5H3.
What are the key properties of tributylsilyl 2-methylpropanoate?
tributylsilyl 2-methylpropanoate has a molecular weight of 286.53 g/mol, XLogP of 5.53, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tributylsilyl 2-methylpropanoate is sourced from PubChem (CID 101197223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).