2-methyl-4-trimethylsilylbutan-2-ol

C8H20OSi — CID 12702675

IUPAC2-methyl-4-trimethylsilylbutan-2-ol
SMILESCC(C)(O)CC[Si](C)(C)C
InChIInChI=1S/C8H20OSi/c1-8(2,9)6-7-10(3,4)5/h9H,6-7H2,1-5H3
InChIKeyAUBGBBZESZXOCM-UHFFFAOYSA-N
MW160.33 g/mol
LogP2.49
Rot. Bonds3

About 2-methyl-4-trimethylsilylbutan-2-ol

2-methyl-4-trimethylsilylbutan-2-ol (PubChem CID 12702675) has the molecular formula C8H20OSi and a molecular weight of 160.33 g/mol. Its IUPAC name is 2-methyl-4-trimethylsilylbutan-2-ol.

Molecular Properties

Compound Name2-methyl-4-trimethylsilylbutan-2-ol
PubChem CID12702675
Molecular FormulaC8H20OSi
Molecular Weight160.33 g/mol
Exact Mass160.13
IUPAC Name2-methyl-4-trimethylsilylbutan-2-ol
SMILESCC(C)(O)CC[Si](C)(C)C
InChIInChI=1S/C8H20OSi/c1-8(2,9)6-7-10(3,4)5/h9H,6-7H2,1-5H3
InChIKeyAUBGBBZESZXOCM-UHFFFAOYSA-N
XLogP2.49
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.33
LogP ≤ 52.49
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-trimethylsilylbutan-2-ol?
The IUPAC name of 2-methyl-4-trimethylsilylbutan-2-ol (CID 12702675) is 2-methyl-4-trimethylsilylbutan-2-ol.
What is the SMILES notation for 2-methyl-4-trimethylsilylbutan-2-ol?
The canonical SMILES for 2-methyl-4-trimethylsilylbutan-2-ol is CC(C)(O)CC[Si](C)(C)C.
What is the InChIKey of 2-methyl-4-trimethylsilylbutan-2-ol?
The InChIKey is AUBGBBZESZXOCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20OSi/c1-8(2,9)6-7-10(3,4)5/h9H,6-7H2,1-5H3.
What are the key properties of 2-methyl-4-trimethylsilylbutan-2-ol?
2-methyl-4-trimethylsilylbutan-2-ol has a molecular weight of 160.33 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-trimethylsilylbutan-2-ol is sourced from PubChem (CID 12702675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).