3-butyl-5-trimethylsilylphenol

C13H22OSi — CID 135075796

IUPAC3-butyl-5-trimethylsilylphenol
SMILESCCCCc1cc(O)cc([Si](C)(C)C)c1
InChIInChI=1S/C13H22OSi/c1-5-6-7-11-8-12(14)10-13(9-11)15(2,3)4/h8-10,14H,5-7H2,1-4H3
InChIKeyPFOKLQTWNKLWJC-UHFFFAOYSA-N
MW222.40 g/mol
LogP3.28
Rot. Bonds4

About 3-butyl-5-trimethylsilylphenol

3-butyl-5-trimethylsilylphenol (PubChem CID 135075796) has the molecular formula C13H22OSi and a molecular weight of 222.40 g/mol. Its IUPAC name is 3-butyl-5-trimethylsilylphenol.

Molecular Properties

Compound Name3-butyl-5-trimethylsilylphenol
PubChem CID135075796
Molecular FormulaC13H22OSi
Molecular Weight222.40 g/mol
Exact Mass222.14
IUPAC Name3-butyl-5-trimethylsilylphenol
SMILESCCCCc1cc(O)cc([Si](C)(C)C)c1
InChIInChI=1S/C13H22OSi/c1-5-6-7-11-8-12(14)10-13(9-11)15(2,3)4/h8-10,14H,5-7H2,1-4H3
InChIKeyPFOKLQTWNKLWJC-UHFFFAOYSA-N
XLogP3.28
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.40
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

3,5-dibutylphenol
CID 15936149
(3,5-dioctylphenyl)-trimethylsilane
CID 156630407
3-butyl-5-propylphenol
CID 69337384
CID 175718629
CID 175718629
5-pentacosylbenzene-1,3-diol
CID 159617875
5-icosylbenzene-1,3-diol
CID 15775324
4-butylphenol;3,5-dibutylphenol
CID 159891553
3-ethyl-5-pentylphenol
CID 130224031
3-butyl-5-methoxyphenol
CID 12836529
5-propylbenzene-1,3-diol
CID 3083600
3-(3-hydroxy-5-pentylphenoxy)-5-pentylphenol
CID 22559423
3-butyl-5-pyrrolidin-1-ylphenol
CID 174461937

Frequently Asked Questions

What is the IUPAC name of 3-butyl-5-trimethylsilylphenol?
The IUPAC name of 3-butyl-5-trimethylsilylphenol (CID 135075796) is 3-butyl-5-trimethylsilylphenol.
What is the SMILES notation for 3-butyl-5-trimethylsilylphenol?
The canonical SMILES for 3-butyl-5-trimethylsilylphenol is CCCCc1cc(O)cc([Si](C)(C)C)c1.
What is the InChIKey of 3-butyl-5-trimethylsilylphenol?
The InChIKey is PFOKLQTWNKLWJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22OSi/c1-5-6-7-11-8-12(14)10-13(9-11)15(2,3)4/h8-10,14H,5-7H2,1-4H3.
What are the key properties of 3-butyl-5-trimethylsilylphenol?
3-butyl-5-trimethylsilylphenol has a molecular weight of 222.40 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-5-trimethylsilylphenol is sourced from PubChem (CID 135075796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).