[2-[tert-butyl(diphenyl)silyl]oxyethyl-[(E)-hex-2-enyl]amino] 2,2-dimethylpropanoate

C29H43NO3Si — CID 166437444

IUPAC[2-[tert-butyl(diphenyl)silyl]oxyethyl-[(E)-hex-2-enyl]amino] 2,2-dimethylpropanoate
SMILESCCC/C=C/CN(CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)OC(=O)C(C)(C)C
InChIInChI=1S/C29H43NO3Si/c1-8-9-10-17-22-30(33-27(31)28(2,3)4)23-24-32-34(29(5,6)7,25-18-13-11-14-19-25)26-20-15-12-16-21-26/h10-21H,8-9,22-24H2,1-7H3/b17-10+
InChIKeyAQTZIBOLSWVCRA-LICLKQGHSA-N
MW481.75 g/mol
LogP5.73
Rot. Bonds11

About [2-[tert-butyl(diphenyl)silyl]oxyethyl-[(E)-hex-2-enyl]amino] 2,2-dimethylpropanoate

[2-[tert-butyl(diphenyl)silyl]oxyethyl-[(E)-hex-2-enyl]amino] 2,2-dimethylpropanoate (PubChem CID 166437444) has the molecular formula C29H43NO3Si and a molecular weight of 481.75 g/mol. Its IUPAC name is [2-[tert-butyl(diphenyl)silyl]oxyethyl-[(E)-hex-2-enyl]amino] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[2-[tert-butyl(diphenyl)silyl]oxyethyl-[(E)-hex-2-enyl]amino] 2,2-dimethylpropanoate
PubChem CID166437444
Molecular FormulaC29H43NO3Si
Molecular Weight481.75 g/mol
Exact Mass481.30
IUPAC Name[2-[tert-butyl(diphenyl)silyl]oxyethyl-[(E)-hex-2-enyl]amino] 2,2-dimethylpropanoate
SMILESCCC/C=C/CN(CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)OC(=O)C(C)(C)C
InChIInChI=1S/C29H43NO3Si/c1-8-9-10-17-22-30(33-27(31)28(2,3)4)23-24-32-34(29(5,6)7,25-18-13-11-14-19-25)26-20-15-12-16-21-26/h10-21H,8-9,22-24H2,1-7H3/b17-10+
InChIKeyAQTZIBOLSWVCRA-LICLKQGHSA-N
XLogP5.73
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.75
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-[tert-butyl(diphenyl)silyl]oxyethyl-[(E)-hex-2-enyl]amino] 2,2-dimethylpropanoate?
The IUPAC name of [2-[tert-butyl(diphenyl)silyl]oxyethyl-[(E)-hex-2-enyl]amino] 2,2-dimethylpropanoate (CID 166437444) is [2-[tert-butyl(diphenyl)silyl]oxyethyl-[(E)-hex-2-enyl]amino] 2,2-dimethylpropanoate.
What is the SMILES notation for [2-[tert-butyl(diphenyl)silyl]oxyethyl-[(E)-hex-2-enyl]amino] 2,2-dimethylpropanoate?
The canonical SMILES for [2-[tert-butyl(diphenyl)silyl]oxyethyl-[(E)-hex-2-enyl]amino] 2,2-dimethylpropanoate is CCC/C=C/CN(CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)OC(=O)C(C)(C)C.
What is the InChIKey of [2-[tert-butyl(diphenyl)silyl]oxyethyl-[(E)-hex-2-enyl]amino] 2,2-dimethylpropanoate?
The InChIKey is AQTZIBOLSWVCRA-LICLKQGHSA-N. The full InChI is InChI=1S/C29H43NO3Si/c1-8-9-10-17-22-30(33-27(31)28(2,3)4)23-24-32-34(29(5,6)7,25-18-13-11-14-19-25)26-20-15-12-16-21-26/h10-21H,8-9,22-24H2,1-7H3/b17-10+.
What are the key properties of [2-[tert-butyl(diphenyl)silyl]oxyethyl-[(E)-hex-2-enyl]amino] 2,2-dimethylpropanoate?
[2-[tert-butyl(diphenyl)silyl]oxyethyl-[(E)-hex-2-enyl]amino] 2,2-dimethylpropanoate has a molecular weight of 481.75 g/mol, XLogP of 5.73, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[tert-butyl(diphenyl)silyl]oxyethyl-[(E)-hex-2-enyl]amino] 2,2-dimethylpropanoate is sourced from PubChem (CID 166437444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).