2,3,3-trimethyl-2-propan-2-yl-1-(2-trimethylsilylethoxy)butan-1-ol

C15H34O2Si — CID 123328832

IUPAC2,3,3-trimethyl-2-propan-2-yl-1-(2-trimethylsilylethoxy)butan-1-ol
SMILESCC(C)C(C)(C(O)OCC[Si](C)(C)C)C(C)(C)C
InChIInChI=1S/C15H34O2Si/c1-12(2)15(6,14(3,4)5)13(16)17-10-11-18(7,8)9/h12-13,16H,10-11H2,1-9H3
InChIKeyWJJAZSNRCDDBSZ-UHFFFAOYSA-N
MW274.52 g/mol
LogP4.37
Rot. Bonds6

About 2,3,3-trimethyl-2-propan-2-yl-1-(2-trimethylsilylethoxy)butan-1-ol

2,3,3-trimethyl-2-propan-2-yl-1-(2-trimethylsilylethoxy)butan-1-ol (PubChem CID 123328832) has the molecular formula C15H34O2Si and a molecular weight of 274.52 g/mol. Its IUPAC name is 2,3,3-trimethyl-2-propan-2-yl-1-(2-trimethylsilylethoxy)butan-1-ol.

Molecular Properties

Compound Name2,3,3-trimethyl-2-propan-2-yl-1-(2-trimethylsilylethoxy)butan-1-ol
PubChem CID123328832
Molecular FormulaC15H34O2Si
Molecular Weight274.52 g/mol
Exact Mass274.23
IUPAC Name2,3,3-trimethyl-2-propan-2-yl-1-(2-trimethylsilylethoxy)butan-1-ol
SMILESCC(C)C(C)(C(O)OCC[Si](C)(C)C)C(C)(C)C
InChIInChI=1S/C15H34O2Si/c1-12(2)15(6,14(3,4)5)13(16)17-10-11-18(7,8)9/h12-13,16H,10-11H2,1-9H3
InChIKeyWJJAZSNRCDDBSZ-UHFFFAOYSA-N
XLogP4.37
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.52
LogP ≤ 54.37
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 2,3,3-trimethyl-2-propan-2-yl-1-(2-trimethylsilylethoxy)butan-1-ol?
The IUPAC name of 2,3,3-trimethyl-2-propan-2-yl-1-(2-trimethylsilylethoxy)butan-1-ol (CID 123328832) is 2,3,3-trimethyl-2-propan-2-yl-1-(2-trimethylsilylethoxy)butan-1-ol.
What is the SMILES notation for 2,3,3-trimethyl-2-propan-2-yl-1-(2-trimethylsilylethoxy)butan-1-ol?
The canonical SMILES for 2,3,3-trimethyl-2-propan-2-yl-1-(2-trimethylsilylethoxy)butan-1-ol is CC(C)C(C)(C(O)OCC[Si](C)(C)C)C(C)(C)C.
What is the InChIKey of 2,3,3-trimethyl-2-propan-2-yl-1-(2-trimethylsilylethoxy)butan-1-ol?
The InChIKey is WJJAZSNRCDDBSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34O2Si/c1-12(2)15(6,14(3,4)5)13(16)17-10-11-18(7,8)9/h12-13,16H,10-11H2,1-9H3.
What are the key properties of 2,3,3-trimethyl-2-propan-2-yl-1-(2-trimethylsilylethoxy)butan-1-ol?
2,3,3-trimethyl-2-propan-2-yl-1-(2-trimethylsilylethoxy)butan-1-ol has a molecular weight of 274.52 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-trimethyl-2-propan-2-yl-1-(2-trimethylsilylethoxy)butan-1-ol is sourced from PubChem (CID 123328832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).