2-[tri(propan-2-yl)silyloxymethyl]benzaldehyde

C17H28O2Si — CID 10661350

IUPAC2-[tri(propan-2-yl)silyloxymethyl]benzaldehyde
SMILESCC(C)[Si](OCc1ccccc1C=O)(C(C)C)C(C)C
InChIInChI=1S/C17H28O2Si/c1-13(2)20(14(3)4,15(5)6)19-12-17-10-8-7-9-16(17)11-18/h7-11,13-15H,12H2,1-6H3
InChIKeyDGORWNGFZVNBPM-UHFFFAOYSA-N
MW292.49 g/mol
LogP5.19
Rot. Bonds7

About 2-[tri(propan-2-yl)silyloxymethyl]benzaldehyde

2-[tri(propan-2-yl)silyloxymethyl]benzaldehyde (PubChem CID 10661350) has the molecular formula C17H28O2Si and a molecular weight of 292.49 g/mol. Its IUPAC name is 2-[tri(propan-2-yl)silyloxymethyl]benzaldehyde.

Molecular Properties

Compound Name2-[tri(propan-2-yl)silyloxymethyl]benzaldehyde
PubChem CID10661350
Molecular FormulaC17H28O2Si
Molecular Weight292.49 g/mol
Exact Mass292.19
IUPAC Name2-[tri(propan-2-yl)silyloxymethyl]benzaldehyde
SMILESCC(C)[Si](OCc1ccccc1C=O)(C(C)C)C(C)C
InChIInChI=1S/C17H28O2Si/c1-13(2)20(14(3)4,15(5)6)19-12-17-10-8-7-9-16(17)11-18/h7-11,13-15H,12H2,1-6H3
InChIKeyDGORWNGFZVNBPM-UHFFFAOYSA-N
XLogP5.19
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.49
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[tri(propan-2-yl)silyloxymethyl]benzaldehyde?
The IUPAC name of 2-[tri(propan-2-yl)silyloxymethyl]benzaldehyde (CID 10661350) is 2-[tri(propan-2-yl)silyloxymethyl]benzaldehyde.
What is the SMILES notation for 2-[tri(propan-2-yl)silyloxymethyl]benzaldehyde?
The canonical SMILES for 2-[tri(propan-2-yl)silyloxymethyl]benzaldehyde is CC(C)[Si](OCc1ccccc1C=O)(C(C)C)C(C)C.
What is the InChIKey of 2-[tri(propan-2-yl)silyloxymethyl]benzaldehyde?
The InChIKey is DGORWNGFZVNBPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O2Si/c1-13(2)20(14(3)4,15(5)6)19-12-17-10-8-7-9-16(17)11-18/h7-11,13-15H,12H2,1-6H3.
What are the key properties of 2-[tri(propan-2-yl)silyloxymethyl]benzaldehyde?
2-[tri(propan-2-yl)silyloxymethyl]benzaldehyde has a molecular weight of 292.49 g/mol, XLogP of 5.19, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tri(propan-2-yl)silyloxymethyl]benzaldehyde is sourced from PubChem (CID 10661350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).