2-tert-butyl-2,3,3-trimethyl-1-(2-trimethylsilylethoxy)butan-1-ol

C16H36O2Si — CID 123389581

IUPAC2-tert-butyl-2,3,3-trimethyl-1-(2-trimethylsilylethoxy)butan-1-ol
SMILESCC(C)(C)C(C)(C(O)OCC[Si](C)(C)C)C(C)(C)C
InChIInChI=1S/C16H36O2Si/c1-14(2,3)16(7,15(4,5)6)13(17)18-11-12-19(8,9)10/h13,17H,11-12H2,1-10H3
InChIKeyWWITXEXCMFWUFL-UHFFFAOYSA-N
MW288.55 g/mol
LogP4.76
Rot. Bonds5

About 2-tert-butyl-2,3,3-trimethyl-1-(2-trimethylsilylethoxy)butan-1-ol

2-tert-butyl-2,3,3-trimethyl-1-(2-trimethylsilylethoxy)butan-1-ol (PubChem CID 123389581) has the molecular formula C16H36O2Si and a molecular weight of 288.55 g/mol. Its IUPAC name is 2-tert-butyl-2,3,3-trimethyl-1-(2-trimethylsilylethoxy)butan-1-ol.

Molecular Properties

Compound Name2-tert-butyl-2,3,3-trimethyl-1-(2-trimethylsilylethoxy)butan-1-ol
PubChem CID123389581
Molecular FormulaC16H36O2Si
Molecular Weight288.55 g/mol
Exact Mass288.25
IUPAC Name2-tert-butyl-2,3,3-trimethyl-1-(2-trimethylsilylethoxy)butan-1-ol
SMILESCC(C)(C)C(C)(C(O)OCC[Si](C)(C)C)C(C)(C)C
InChIInChI=1S/C16H36O2Si/c1-14(2,3)16(7,15(4,5)6)13(17)18-11-12-19(8,9)10/h13,17H,11-12H2,1-10H3
InChIKeyWWITXEXCMFWUFL-UHFFFAOYSA-N
XLogP4.76
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.55
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-2,3,3-trimethyl-1-(2-trimethylsilylethoxy)butan-1-ol?
The IUPAC name of 2-tert-butyl-2,3,3-trimethyl-1-(2-trimethylsilylethoxy)butan-1-ol (CID 123389581) is 2-tert-butyl-2,3,3-trimethyl-1-(2-trimethylsilylethoxy)butan-1-ol.
What is the SMILES notation for 2-tert-butyl-2,3,3-trimethyl-1-(2-trimethylsilylethoxy)butan-1-ol?
The canonical SMILES for 2-tert-butyl-2,3,3-trimethyl-1-(2-trimethylsilylethoxy)butan-1-ol is CC(C)(C)C(C)(C(O)OCC[Si](C)(C)C)C(C)(C)C.
What is the InChIKey of 2-tert-butyl-2,3,3-trimethyl-1-(2-trimethylsilylethoxy)butan-1-ol?
The InChIKey is WWITXEXCMFWUFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36O2Si/c1-14(2,3)16(7,15(4,5)6)13(17)18-11-12-19(8,9)10/h13,17H,11-12H2,1-10H3.
What are the key properties of 2-tert-butyl-2,3,3-trimethyl-1-(2-trimethylsilylethoxy)butan-1-ol?
2-tert-butyl-2,3,3-trimethyl-1-(2-trimethylsilylethoxy)butan-1-ol has a molecular weight of 288.55 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-2,3,3-trimethyl-1-(2-trimethylsilylethoxy)butan-1-ol is sourced from PubChem (CID 123389581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).