tri(butan-2-yloxy)silyl acetate

C14H30O5Si — CID 14144419

IUPACtri(butan-2-yloxy)silyl acetate
SMILESCCC(C)O[Si](OC(C)=O)(OC(C)CC)OC(C)CC
InChIInChI=1S/C14H30O5Si/c1-8-11(4)16-20(19-14(7)15,17-12(5)9-2)18-13(6)10-3/h11-13H,8-10H2,1-7H3
InChIKeyGBFQSDOOCVWARE-UHFFFAOYSA-N
MW306.48 g/mol
LogP3.43
Rot. Bonds10

About tri(butan-2-yloxy)silyl acetate

tri(butan-2-yloxy)silyl acetate (PubChem CID 14144419) has the molecular formula C14H30O5Si and a molecular weight of 306.48 g/mol. Its IUPAC name is tri(butan-2-yloxy)silyl acetate.

Molecular Properties

Compound Nametri(butan-2-yloxy)silyl acetate
PubChem CID14144419
Molecular FormulaC14H30O5Si
Molecular Weight306.48 g/mol
Exact Mass306.19
IUPAC Nametri(butan-2-yloxy)silyl acetate
SMILESCCC(C)O[Si](OC(C)=O)(OC(C)CC)OC(C)CC
InChIInChI=1S/C14H30O5Si/c1-8-11(4)16-20(19-14(7)15,17-12(5)9-2)18-13(6)10-3/h11-13H,8-10H2,1-7H3
InChIKeyGBFQSDOOCVWARE-UHFFFAOYSA-N
XLogP3.43
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.48
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 tri(butan-2-yloxy)silyl acetate?
The IUPAC name of tri(butan-2-yloxy)silyl acetate (CID 14144419) is tri(butan-2-yloxy)silyl acetate.
What is the SMILES notation for tri(butan-2-yloxy)silyl acetate?
The canonical SMILES for tri(butan-2-yloxy)silyl acetate is CCC(C)O[Si](OC(C)=O)(OC(C)CC)OC(C)CC.
What is the InChIKey of tri(butan-2-yloxy)silyl acetate?
The InChIKey is GBFQSDOOCVWARE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O5Si/c1-8-11(4)16-20(19-14(7)15,17-12(5)9-2)18-13(6)10-3/h11-13H,8-10H2,1-7H3.
What are the key properties of tri(butan-2-yloxy)silyl acetate?
tri(butan-2-yloxy)silyl acetate has a molecular weight of 306.48 g/mol, XLogP of 3.43, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tri(butan-2-yloxy)silyl acetate is sourced from PubChem (CID 14144419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).