2-(4-trimethylsilylphenyl)propan-2-yl 2,2-dimethylbutanoate

C18H30O2Si — CID 177286394

IUPAC2-(4-trimethylsilylphenyl)propan-2-yl 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OC(C)(C)c1ccc([Si](C)(C)C)cc1
InChIInChI=1S/C18H30O2Si/c1-9-17(2,3)16(19)20-18(4,5)14-10-12-15(13-11-14)21(6,7)8/h10-13H,9H2,1-8H3
InChIKeyIAESMPWXUAXEDS-UHFFFAOYSA-N
MW306.52 g/mol
LogP4.45
Rot. Bonds5

About 2-(4-trimethylsilylphenyl)propan-2-yl 2,2-dimethylbutanoate

2-(4-trimethylsilylphenyl)propan-2-yl 2,2-dimethylbutanoate (PubChem CID 177286394) has the molecular formula C18H30O2Si and a molecular weight of 306.52 g/mol. Its IUPAC name is 2-(4-trimethylsilylphenyl)propan-2-yl 2,2-dimethylbutanoate.

Molecular Properties

Compound Name2-(4-trimethylsilylphenyl)propan-2-yl 2,2-dimethylbutanoate
PubChem CID177286394
Molecular FormulaC18H30O2Si
Molecular Weight306.52 g/mol
Exact Mass306.20
IUPAC Name2-(4-trimethylsilylphenyl)propan-2-yl 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OC(C)(C)c1ccc([Si](C)(C)C)cc1
InChIInChI=1S/C18H30O2Si/c1-9-17(2,3)16(19)20-18(4,5)14-10-12-15(13-11-14)21(6,7)8/h10-13H,9H2,1-8H3
InChIKeyIAESMPWXUAXEDS-UHFFFAOYSA-N
XLogP4.45
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.52
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(4-trimethylsilylphenyl)propan-2-yl 2,2-dimethylbutanoate?
The IUPAC name of 2-(4-trimethylsilylphenyl)propan-2-yl 2,2-dimethylbutanoate (CID 177286394) is 2-(4-trimethylsilylphenyl)propan-2-yl 2,2-dimethylbutanoate.
What is the SMILES notation for 2-(4-trimethylsilylphenyl)propan-2-yl 2,2-dimethylbutanoate?
The canonical SMILES for 2-(4-trimethylsilylphenyl)propan-2-yl 2,2-dimethylbutanoate is CCC(C)(C)C(=O)OC(C)(C)c1ccc([Si](C)(C)C)cc1.
What is the InChIKey of 2-(4-trimethylsilylphenyl)propan-2-yl 2,2-dimethylbutanoate?
The InChIKey is IAESMPWXUAXEDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O2Si/c1-9-17(2,3)16(19)20-18(4,5)14-10-12-15(13-11-14)21(6,7)8/h10-13H,9H2,1-8H3.
What are the key properties of 2-(4-trimethylsilylphenyl)propan-2-yl 2,2-dimethylbutanoate?
2-(4-trimethylsilylphenyl)propan-2-yl 2,2-dimethylbutanoate has a molecular weight of 306.52 g/mol, XLogP of 4.45, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-trimethylsilylphenyl)propan-2-yl 2,2-dimethylbutanoate is sourced from PubChem (CID 177286394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).