2-methyl-4-tris(trimethylsilyl)silylbutan-2-ol

C14H38OSi4 — CID 22625558

IUPAC2-methyl-4-tris(trimethylsilyl)silylbutan-2-ol
SMILESCC(C)(O)CC[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C14H38OSi4/c1-14(2,15)12-13-19(16(3,4)5,17(6,7)8)18(9,10)11/h15H,12-13H2,1-11H3
InChIKeyZESXMVXJZJDAMF-UHFFFAOYSA-N
MW334.80 g/mol
LogP4.85
Rot. Bonds6

About 2-methyl-4-tris(trimethylsilyl)silylbutan-2-ol

2-methyl-4-tris(trimethylsilyl)silylbutan-2-ol (PubChem CID 22625558) has the molecular formula C14H38OSi4 and a molecular weight of 334.80 g/mol. Its IUPAC name is 2-methyl-4-tris(trimethylsilyl)silylbutan-2-ol.

Molecular Properties

Compound Name2-methyl-4-tris(trimethylsilyl)silylbutan-2-ol
PubChem CID22625558
Molecular FormulaC14H38OSi4
Molecular Weight334.80 g/mol
Exact Mass334.20
IUPAC Name2-methyl-4-tris(trimethylsilyl)silylbutan-2-ol
SMILESCC(C)(O)CC[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C14H38OSi4/c1-14(2,15)12-13-19(16(3,4)5,17(6,7)8)18(9,10)11/h15H,12-13H2,1-11H3
InChIKeyZESXMVXJZJDAMF-UHFFFAOYSA-N
XLogP4.85
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.80
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 2-methyl-4-tris(trimethylsilyl)silylbutan-2-ol?
The IUPAC name of 2-methyl-4-tris(trimethylsilyl)silylbutan-2-ol (CID 22625558) is 2-methyl-4-tris(trimethylsilyl)silylbutan-2-ol.
What is the SMILES notation for 2-methyl-4-tris(trimethylsilyl)silylbutan-2-ol?
The canonical SMILES for 2-methyl-4-tris(trimethylsilyl)silylbutan-2-ol is CC(C)(O)CC[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C.
What is the InChIKey of 2-methyl-4-tris(trimethylsilyl)silylbutan-2-ol?
The InChIKey is ZESXMVXJZJDAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H38OSi4/c1-14(2,15)12-13-19(16(3,4)5,17(6,7)8)18(9,10)11/h15H,12-13H2,1-11H3.
What are the key properties of 2-methyl-4-tris(trimethylsilyl)silylbutan-2-ol?
2-methyl-4-tris(trimethylsilyl)silylbutan-2-ol has a molecular weight of 334.80 g/mol, XLogP of 4.85, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-tris(trimethylsilyl)silylbutan-2-ol is sourced from PubChem (CID 22625558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).