1-trimethylsilylbutan-1-ol

C7H18OSi — CID 11955011

IUPAC1-trimethylsilylbutan-1-ol
SMILESCCCC(O)[Si](C)(C)C
InChIInChI=1S/C7H18OSi/c1-5-6-7(8)9(2,3)4/h7-8H,5-6H2,1-4H3
InChIKeyOAWJYEQFMMWCNB-UHFFFAOYSA-N
MW146.31 g/mol
LogP2.02
Rot. Bonds3

About 1-trimethylsilylbutan-1-ol

1-trimethylsilylbutan-1-ol (PubChem CID 11955011) has the molecular formula C7H18OSi and a molecular weight of 146.31 g/mol. Its IUPAC name is 1-trimethylsilylbutan-1-ol.

Molecular Properties

Compound Name1-trimethylsilylbutan-1-ol
PubChem CID11955011
Molecular FormulaC7H18OSi
Molecular Weight146.31 g/mol
Exact Mass146.11
IUPAC Name1-trimethylsilylbutan-1-ol
SMILESCCCC(O)[Si](C)(C)C
InChIInChI=1S/C7H18OSi/c1-5-6-7(8)9(2,3)4/h7-8H,5-6H2,1-4H3
InChIKeyOAWJYEQFMMWCNB-UHFFFAOYSA-N
XLogP2.02
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.31
LogP ≤ 52.02
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 1-trimethylsilylbutan-1-ol?
The IUPAC name of 1-trimethylsilylbutan-1-ol (CID 11955011) is 1-trimethylsilylbutan-1-ol.
What is the SMILES notation for 1-trimethylsilylbutan-1-ol?
The canonical SMILES for 1-trimethylsilylbutan-1-ol is CCCC(O)[Si](C)(C)C.
What is the InChIKey of 1-trimethylsilylbutan-1-ol?
The InChIKey is OAWJYEQFMMWCNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18OSi/c1-5-6-7(8)9(2,3)4/h7-8H,5-6H2,1-4H3.
What are the key properties of 1-trimethylsilylbutan-1-ol?
1-trimethylsilylbutan-1-ol has a molecular weight of 146.31 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-trimethylsilylbutan-1-ol is sourced from PubChem (CID 11955011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).