2-[(E)-1-triethylsilylhept-1-enyl]benzaldehyde

C20H32OSi — CID 11493418

IUPAC2-[(E)-1-triethylsilylhept-1-enyl]benzaldehyde
SMILESCCCCC/C=C(\c1ccccc1C=O)[Si](CC)(CC)CC
InChIInChI=1S/C20H32OSi/c1-5-9-10-11-16-20(22(6-2,7-3)8-4)19-15-13-12-14-18(19)17-21/h12-17H,5-11H2,1-4H3/b20-16+
InChIKeyCRDCSLBUERPADA-CAPFRKAQSA-N
MW316.56 g/mol
LogP6.51
Rot. Bonds10

About 2-[(E)-1-triethylsilylhept-1-enyl]benzaldehyde

2-[(E)-1-triethylsilylhept-1-enyl]benzaldehyde (PubChem CID 11493418) has the molecular formula C20H32OSi and a molecular weight of 316.56 g/mol. Its IUPAC name is 2-[(E)-1-triethylsilylhept-1-enyl]benzaldehyde.

Molecular Properties

Compound Name2-[(E)-1-triethylsilylhept-1-enyl]benzaldehyde
PubChem CID11493418
Molecular FormulaC20H32OSi
Molecular Weight316.56 g/mol
Exact Mass316.22
IUPAC Name2-[(E)-1-triethylsilylhept-1-enyl]benzaldehyde
SMILESCCCCC/C=C(\c1ccccc1C=O)[Si](CC)(CC)CC
InChIInChI=1S/C20H32OSi/c1-5-9-10-11-16-20(22(6-2,7-3)8-4)19-15-13-12-14-18(19)17-21/h12-17H,5-11H2,1-4H3/b20-16+
InChIKeyCRDCSLBUERPADA-CAPFRKAQSA-N
XLogP6.51
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.56
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-1-triethylsilylhept-1-enyl]benzaldehyde?
The IUPAC name of 2-[(E)-1-triethylsilylhept-1-enyl]benzaldehyde (CID 11493418) is 2-[(E)-1-triethylsilylhept-1-enyl]benzaldehyde.
What is the SMILES notation for 2-[(E)-1-triethylsilylhept-1-enyl]benzaldehyde?
The canonical SMILES for 2-[(E)-1-triethylsilylhept-1-enyl]benzaldehyde is CCCCC/C=C(\c1ccccc1C=O)[Si](CC)(CC)CC.
What is the InChIKey of 2-[(E)-1-triethylsilylhept-1-enyl]benzaldehyde?
The InChIKey is CRDCSLBUERPADA-CAPFRKAQSA-N. The full InChI is InChI=1S/C20H32OSi/c1-5-9-10-11-16-20(22(6-2,7-3)8-4)19-15-13-12-14-18(19)17-21/h12-17H,5-11H2,1-4H3/b20-16+.
What are the key properties of 2-[(E)-1-triethylsilylhept-1-enyl]benzaldehyde?
2-[(E)-1-triethylsilylhept-1-enyl]benzaldehyde has a molecular weight of 316.56 g/mol, XLogP of 6.51, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-1-triethylsilylhept-1-enyl]benzaldehyde is sourced from PubChem (CID 11493418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).