2-[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl]-2-[(E)-3-phenylprop-2-enyl]propane-1,3-diol

C22H36O3Si — CID 16720182

IUPAC2-[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl]-2-[(E)-3-phenylprop-2-enyl]propane-1,3-diol
SMILESCC(C)(C)[Si](C)(C)OC/C=C/CC(CO)(CO)C/C=C/c1ccccc1
InChIInChI=1S/C22H36O3Si/c1-21(2,3)26(4,5)25-17-10-9-15-22(18-23,19-24)16-11-14-20-12-7-6-8-13-20/h6-14,23-24H,15-19H2,1-5H3/b10-9+,14-11+
InChIKeyFVTNWVXCTUBNBM-QDCWQMMGSA-N
MW376.61 g/mol
LogP5.03
Rot. Bonds10

About 2-[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl]-2-[(E)-3-phenylprop-2-enyl]propane-1,3-diol

2-[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl]-2-[(E)-3-phenylprop-2-enyl]propane-1,3-diol (PubChem CID 16720182) has the molecular formula C22H36O3Si and a molecular weight of 376.61 g/mol. Its IUPAC name is 2-[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl]-2-[(E)-3-phenylprop-2-enyl]propane-1,3-diol.

Molecular Properties

Compound Name2-[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl]-2-[(E)-3-phenylprop-2-enyl]propane-1,3-diol
PubChem CID16720182
Molecular FormulaC22H36O3Si
Molecular Weight376.61 g/mol
Exact Mass376.24
IUPAC Name2-[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl]-2-[(E)-3-phenylprop-2-enyl]propane-1,3-diol
SMILESCC(C)(C)[Si](C)(C)OC/C=C/CC(CO)(CO)C/C=C/c1ccccc1
InChIInChI=1S/C22H36O3Si/c1-21(2,3)26(4,5)25-17-10-9-15-22(18-23,19-24)16-11-14-20-12-7-6-8-13-20/h6-14,23-24H,15-19H2,1-5H3/b10-9+,14-11+
InChIKeyFVTNWVXCTUBNBM-QDCWQMMGSA-N
XLogP5.03
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.61
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl]-2-[(E)-3-phenylprop-2-enyl]propane-1,3-diol?
The IUPAC name of 2-[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl]-2-[(E)-3-phenylprop-2-enyl]propane-1,3-diol (CID 16720182) is 2-[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl]-2-[(E)-3-phenylprop-2-enyl]propane-1,3-diol.
What is the SMILES notation for 2-[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl]-2-[(E)-3-phenylprop-2-enyl]propane-1,3-diol?
The canonical SMILES for 2-[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl]-2-[(E)-3-phenylprop-2-enyl]propane-1,3-diol is CC(C)(C)[Si](C)(C)OC/C=C/CC(CO)(CO)C/C=C/c1ccccc1.
What is the InChIKey of 2-[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl]-2-[(E)-3-phenylprop-2-enyl]propane-1,3-diol?
The InChIKey is FVTNWVXCTUBNBM-QDCWQMMGSA-N. The full InChI is InChI=1S/C22H36O3Si/c1-21(2,3)26(4,5)25-17-10-9-15-22(18-23,19-24)16-11-14-20-12-7-6-8-13-20/h6-14,23-24H,15-19H2,1-5H3/b10-9+,14-11+.
What are the key properties of 2-[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl]-2-[(E)-3-phenylprop-2-enyl]propane-1,3-diol?
2-[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl]-2-[(E)-3-phenylprop-2-enyl]propane-1,3-diol has a molecular weight of 376.61 g/mol, XLogP of 5.03, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl]-2-[(E)-3-phenylprop-2-enyl]propane-1,3-diol is sourced from PubChem (CID 16720182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).