tert-butyl 3-[tert-butyl(dimethyl)silyl]oxypropanoate

C13H28O3Si — CID 175251945

IUPACtert-butyl 3-[tert-butyl(dimethyl)silyl]oxypropanoate
SMILESCC(C)(C)OC(=O)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H28O3Si/c1-12(2,3)16-11(14)9-10-15-17(7,8)13(4,5)6/h9-10H2,1-8H3
InChIKeyGGQATTBIJDIZLP-UHFFFAOYSA-N
MW260.45 g/mol
LogP3.74
Rot. Bonds4

About tert-butyl 3-[tert-butyl(dimethyl)silyl]oxypropanoate

tert-butyl 3-[tert-butyl(dimethyl)silyl]oxypropanoate (PubChem CID 175251945) has the molecular formula C13H28O3Si and a molecular weight of 260.45 g/mol. Its IUPAC name is tert-butyl 3-[tert-butyl(dimethyl)silyl]oxypropanoate.

Molecular Properties

Compound Nametert-butyl 3-[tert-butyl(dimethyl)silyl]oxypropanoate
PubChem CID175251945
Molecular FormulaC13H28O3Si
Molecular Weight260.45 g/mol
Exact Mass260.18
IUPAC Nametert-butyl 3-[tert-butyl(dimethyl)silyl]oxypropanoate
SMILESCC(C)(C)OC(=O)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H28O3Si/c1-12(2,3)16-11(14)9-10-15-17(7,8)13(4,5)6/h9-10H2,1-8H3
InChIKeyGGQATTBIJDIZLP-UHFFFAOYSA-N
XLogP3.74
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.45
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[tert-butyl(dimethyl)silyl]oxypentane-2,3-dione
CID 59850474
tert-butyl 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 170917699
tert-butyl 3-[2-[2-[2-[2-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 18374585
tert-butyl 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 162642491
(Z)-5-[tert-butyl(dimethyl)silyl]oxy-3-chloropent-2-enoic acid
CID 10849255
tert-butyl 5-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-4-methylpentanoate
CID 156726772
[tert-butyl(dimethyl)silyl] 5-[tert-butyl(dimethyl)silyl]oxypentanoate
CID 22907893
ditert-butyl pentanedioate
CID 3016405
tert-butyl 2-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-ylamino]acetate
CID 87652886
tert-butyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-3-tributylstannylpent-2-enoate
CID 136590573
4-[tert-butyl(dimethyl)silyl]oxy-2-diazobutanoic acid
CID 139681349
tert-butyl (2R)-2-amino-3-[tert-butyl(dimethyl)silyl]oxypropanoate
CID 132916594

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[tert-butyl(dimethyl)silyl]oxypropanoate?
The IUPAC name of tert-butyl 3-[tert-butyl(dimethyl)silyl]oxypropanoate (CID 175251945) is tert-butyl 3-[tert-butyl(dimethyl)silyl]oxypropanoate.
What is the SMILES notation for tert-butyl 3-[tert-butyl(dimethyl)silyl]oxypropanoate?
The canonical SMILES for tert-butyl 3-[tert-butyl(dimethyl)silyl]oxypropanoate is CC(C)(C)OC(=O)CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl 3-[tert-butyl(dimethyl)silyl]oxypropanoate?
The InChIKey is GGQATTBIJDIZLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O3Si/c1-12(2,3)16-11(14)9-10-15-17(7,8)13(4,5)6/h9-10H2,1-8H3.
What are the key properties of tert-butyl 3-[tert-butyl(dimethyl)silyl]oxypropanoate?
tert-butyl 3-[tert-butyl(dimethyl)silyl]oxypropanoate has a molecular weight of 260.45 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[tert-butyl(dimethyl)silyl]oxypropanoate is sourced from PubChem (CID 175251945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).