2-[5-[tert-butyl(dimethyl)silyl]oxypentoxy]benzaldehyde

C18H30O3Si — CID 175203615

IUPAC2-[5-[tert-butyl(dimethyl)silyl]oxypentoxy]benzaldehyde
SMILESCC(C)(C)[Si](C)(C)OCCCCCOc1ccccc1C=O
InChIInChI=1S/C18H30O3Si/c1-18(2,3)22(4,5)21-14-10-6-9-13-20-17-12-8-7-11-16(17)15-19/h7-8,11-12,15H,6,9-10,13-14H2,1-5H3
InChIKeyRIUFBXZQMUGBHH-UHFFFAOYSA-N
MW322.52 g/mol
LogP5.07
Rot. Bonds9

About 2-[5-[tert-butyl(dimethyl)silyl]oxypentoxy]benzaldehyde

2-[5-[tert-butyl(dimethyl)silyl]oxypentoxy]benzaldehyde (PubChem CID 175203615) has the molecular formula C18H30O3Si and a molecular weight of 322.52 g/mol. Its IUPAC name is 2-[5-[tert-butyl(dimethyl)silyl]oxypentoxy]benzaldehyde.

Molecular Properties

Compound Name2-[5-[tert-butyl(dimethyl)silyl]oxypentoxy]benzaldehyde
PubChem CID175203615
Molecular FormulaC18H30O3Si
Molecular Weight322.52 g/mol
Exact Mass322.20
IUPAC Name2-[5-[tert-butyl(dimethyl)silyl]oxypentoxy]benzaldehyde
SMILESCC(C)(C)[Si](C)(C)OCCCCCOc1ccccc1C=O
InChIInChI=1S/C18H30O3Si/c1-18(2,3)22(4,5)21-14-10-6-9-13-20-17-12-8-7-11-16(17)15-19/h7-8,11-12,15H,6,9-10,13-14H2,1-5H3
InChIKeyRIUFBXZQMUGBHH-UHFFFAOYSA-N
XLogP5.07
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.52
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[5-[tert-butyl(dimethyl)silyl]oxypentoxy]benzaldehyde?
The IUPAC name of 2-[5-[tert-butyl(dimethyl)silyl]oxypentoxy]benzaldehyde (CID 175203615) is 2-[5-[tert-butyl(dimethyl)silyl]oxypentoxy]benzaldehyde.
What is the SMILES notation for 2-[5-[tert-butyl(dimethyl)silyl]oxypentoxy]benzaldehyde?
The canonical SMILES for 2-[5-[tert-butyl(dimethyl)silyl]oxypentoxy]benzaldehyde is CC(C)(C)[Si](C)(C)OCCCCCOc1ccccc1C=O.
What is the InChIKey of 2-[5-[tert-butyl(dimethyl)silyl]oxypentoxy]benzaldehyde?
The InChIKey is RIUFBXZQMUGBHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O3Si/c1-18(2,3)22(4,5)21-14-10-6-9-13-20-17-12-8-7-11-16(17)15-19/h7-8,11-12,15H,6,9-10,13-14H2,1-5H3.
What are the key properties of 2-[5-[tert-butyl(dimethyl)silyl]oxypentoxy]benzaldehyde?
2-[5-[tert-butyl(dimethyl)silyl]oxypentoxy]benzaldehyde has a molecular weight of 322.52 g/mol, XLogP of 5.07, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[tert-butyl(dimethyl)silyl]oxypentoxy]benzaldehyde is sourced from PubChem (CID 175203615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).