(2,4-ditert-butylphenoxy)-trimethylsilane

C17H30OSi — CID 54052462

IUPAC(2,4-ditert-butylphenoxy)-trimethylsilane
SMILESCC(C)(C)c1ccc(O[Si](C)(C)C)c(C(C)(C)C)c1
InChIInChI=1S/C17H30OSi/c1-16(2,3)13-10-11-15(18-19(7,8)9)14(12-13)17(4,5)6/h10-12H,1-9H3
InChIKeyQTNSCJDYUPNYNR-UHFFFAOYSA-N
MW278.51 g/mol
LogP5.50
Rot. Bonds2

About (2,4-ditert-butylphenoxy)-trimethylsilane

(2,4-ditert-butylphenoxy)-trimethylsilane (PubChem CID 54052462) has the molecular formula C17H30OSi and a molecular weight of 278.51 g/mol. Its IUPAC name is (2,4-ditert-butylphenoxy)-trimethylsilane.

Molecular Properties

Compound Name(2,4-ditert-butylphenoxy)-trimethylsilane
PubChem CID54052462
Molecular FormulaC17H30OSi
Molecular Weight278.51 g/mol
Exact Mass278.21
IUPAC Name(2,4-ditert-butylphenoxy)-trimethylsilane
SMILESCC(C)(C)c1ccc(O[Si](C)(C)C)c(C(C)(C)C)c1
InChIInChI=1S/C17H30OSi/c1-16(2,3)13-10-11-15(18-19(7,8)9)14(12-13)17(4,5)6/h10-12H,1-9H3
InChIKeyQTNSCJDYUPNYNR-UHFFFAOYSA-N
XLogP5.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.51
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,6-Di-tert-butyl-4-methylphenol
CID 31404
2,4-Di-tert-butylphenol
CID 7311
Bisphenol C
CID 6620
2-tert-Butyl-4-methylphenol
CID 17004
2,6-Di-tert-butyl-4-ethylphenol
CID 20087
2,4-Di-tert-pentylphenol
CID 8455
4-sec-Butyl-2,6-di-tert-butylphenol
CID 86583
2,4,6-Tri-tert-butylphenol
CID 12902
2-tert-Butyl-4-ethylphenol
CID 7309
2,4-Dimethyl-6-tert-butylphenol
CID 15884
2,4-Diisopropylphenol
CID 18048
Phenol, 4,4'-(1-methylethylidene)bis(2-(2-propen-1-yl)-
CID 74457

Frequently Asked Questions

What is the IUPAC name of (2,4-ditert-butylphenoxy)-trimethylsilane?
The IUPAC name of (2,4-ditert-butylphenoxy)-trimethylsilane (CID 54052462) is (2,4-ditert-butylphenoxy)-trimethylsilane.
What is the SMILES notation for (2,4-ditert-butylphenoxy)-trimethylsilane?
The canonical SMILES for (2,4-ditert-butylphenoxy)-trimethylsilane is CC(C)(C)c1ccc(O[Si](C)(C)C)c(C(C)(C)C)c1.
What is the InChIKey of (2,4-ditert-butylphenoxy)-trimethylsilane?
The InChIKey is QTNSCJDYUPNYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30OSi/c1-16(2,3)13-10-11-15(18-19(7,8)9)14(12-13)17(4,5)6/h10-12H,1-9H3.
What are the key properties of (2,4-ditert-butylphenoxy)-trimethylsilane?
(2,4-ditert-butylphenoxy)-trimethylsilane has a molecular weight of 278.51 g/mol, XLogP of 5.50, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-ditert-butylphenoxy)-trimethylsilane is sourced from PubChem (CID 54052462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).