1-(3,5-ditert-butylphenyl)ethyl-trimethylsilane

C19H34Si — CID 174954142

IUPAC1-(3,5-ditert-butylphenyl)ethyl-trimethylsilane
SMILESCC(c1cc(C(C)(C)C)cc(C(C)(C)C)c1)[Si](C)(C)C
InChIInChI=1S/C19H34Si/c1-14(20(8,9)10)15-11-16(18(2,3)4)13-17(12-15)19(5,6)7/h11-14H,1-10H3
InChIKeyDYYQAPAHMVSIQO-UHFFFAOYSA-N
MW290.57 g/mol
LogP6.26
Rot. Bonds2

About 1-(3,5-ditert-butylphenyl)ethyl-trimethylsilane

1-(3,5-ditert-butylphenyl)ethyl-trimethylsilane (PubChem CID 174954142) has the molecular formula C19H34Si and a molecular weight of 290.57 g/mol. Its IUPAC name is 1-(3,5-ditert-butylphenyl)ethyl-trimethylsilane.

Molecular Properties

Compound Name1-(3,5-ditert-butylphenyl)ethyl-trimethylsilane
PubChem CID174954142
Molecular FormulaC19H34Si
Molecular Weight290.57 g/mol
Exact Mass290.24
IUPAC Name1-(3,5-ditert-butylphenyl)ethyl-trimethylsilane
SMILESCC(c1cc(C(C)(C)C)cc(C(C)(C)C)c1)[Si](C)(C)C
InChIInChI=1S/C19H34Si/c1-14(20(8,9)10)15-11-16(18(2,3)4)13-17(12-15)19(5,6)7/h11-14H,1-10H3
InChIKeyDYYQAPAHMVSIQO-UHFFFAOYSA-N
XLogP6.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.57
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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-(3,5-ditert-butylphenyl)ethyl-trimethylsilane?
The IUPAC name of 1-(3,5-ditert-butylphenyl)ethyl-trimethylsilane (CID 174954142) is 1-(3,5-ditert-butylphenyl)ethyl-trimethylsilane.
What is the SMILES notation for 1-(3,5-ditert-butylphenyl)ethyl-trimethylsilane?
The canonical SMILES for 1-(3,5-ditert-butylphenyl)ethyl-trimethylsilane is CC(c1cc(C(C)(C)C)cc(C(C)(C)C)c1)[Si](C)(C)C.
What is the InChIKey of 1-(3,5-ditert-butylphenyl)ethyl-trimethylsilane?
The InChIKey is DYYQAPAHMVSIQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34Si/c1-14(20(8,9)10)15-11-16(18(2,3)4)13-17(12-15)19(5,6)7/h11-14H,1-10H3.
What are the key properties of 1-(3,5-ditert-butylphenyl)ethyl-trimethylsilane?
1-(3,5-ditert-butylphenyl)ethyl-trimethylsilane has a molecular weight of 290.57 g/mol, XLogP of 6.26, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-ditert-butylphenyl)ethyl-trimethylsilane is sourced from PubChem (CID 174954142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).