4-[tert-butyl(dimethyl)silyl]oxynaphthalene-1-carbaldehyde

C17H22O2Si — CID 11843644

IUPAC4-[tert-butyl(dimethyl)silyl]oxynaphthalene-1-carbaldehyde
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(C=O)c2ccccc12
InChIInChI=1S/C17H22O2Si/c1-17(2,3)20(4,5)19-16-11-10-13(12-18)14-8-6-7-9-15(14)16/h6-12H,1-5H3
InChIKeyJCANFQIKXFTCFY-UHFFFAOYSA-N
MW286.45 g/mol
LogP5.04
Rot. Bonds3

About 4-[tert-butyl(dimethyl)silyl]oxynaphthalene-1-carbaldehyde

4-[tert-butyl(dimethyl)silyl]oxynaphthalene-1-carbaldehyde (PubChem CID 11843644) has the molecular formula C17H22O2Si and a molecular weight of 286.45 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxynaphthalene-1-carbaldehyde.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxynaphthalene-1-carbaldehyde
PubChem CID11843644
Molecular FormulaC17H22O2Si
Molecular Weight286.45 g/mol
Exact Mass286.14
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxynaphthalene-1-carbaldehyde
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(C=O)c2ccccc12
InChIInChI=1S/C17H22O2Si/c1-17(2,3)20(4,5)19-16-11-10-13(12-18)14-8-6-7-9-15(14)16/h6-12H,1-5H3
InChIKeyJCANFQIKXFTCFY-UHFFFAOYSA-N
XLogP5.04
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.45
LogP ≤ 55.04
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 4-[tert-butyl(dimethyl)silyl]oxynaphthalene-1-carbaldehyde?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxynaphthalene-1-carbaldehyde (CID 11843644) is 4-[tert-butyl(dimethyl)silyl]oxynaphthalene-1-carbaldehyde.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxynaphthalene-1-carbaldehyde?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxynaphthalene-1-carbaldehyde is CC(C)(C)[Si](C)(C)Oc1ccc(C=O)c2ccccc12.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxynaphthalene-1-carbaldehyde?
The InChIKey is JCANFQIKXFTCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O2Si/c1-17(2,3)20(4,5)19-16-11-10-13(12-18)14-8-6-7-9-15(14)16/h6-12H,1-5H3.
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxynaphthalene-1-carbaldehyde?
4-[tert-butyl(dimethyl)silyl]oxynaphthalene-1-carbaldehyde has a molecular weight of 286.45 g/mol, XLogP of 5.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(dimethyl)silyl]oxynaphthalene-1-carbaldehyde is sourced from PubChem (CID 11843644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).