6-[tert-butyl(diphenyl)silyl]oxy-1-methyl-2,3-dihydroindene-1-carbaldehyde

C27H30O2Si — CID 54314982

IUPAC6-[tert-butyl(diphenyl)silyl]oxy-1-methyl-2,3-dihydroindene-1-carbaldehyde
SMILESCC1(C=O)CCc2ccc(O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)cc21
InChIInChI=1S/C27H30O2Si/c1-26(2,3)30(23-11-7-5-8-12-23,24-13-9-6-10-14-24)29-22-16-15-21-17-18-27(4,20-28)25(21)19-22/h5-16,19-20H,17-18H2,1-4H3
InChIKeySNNSOTSNUNXBEV-UHFFFAOYSA-N
MW414.62 g/mol
LogP5.03
Rot. Bonds5

About 6-[tert-butyl(diphenyl)silyl]oxy-1-methyl-2,3-dihydroindene-1-carbaldehyde

6-[tert-butyl(diphenyl)silyl]oxy-1-methyl-2,3-dihydroindene-1-carbaldehyde (PubChem CID 54314982) has the molecular formula C27H30O2Si and a molecular weight of 414.62 g/mol. Its IUPAC name is 6-[tert-butyl(diphenyl)silyl]oxy-1-methyl-2,3-dihydroindene-1-carbaldehyde.

Molecular Properties

Compound Name6-[tert-butyl(diphenyl)silyl]oxy-1-methyl-2,3-dihydroindene-1-carbaldehyde
PubChem CID54314982
Molecular FormulaC27H30O2Si
Molecular Weight414.62 g/mol
Exact Mass414.20
IUPAC Name6-[tert-butyl(diphenyl)silyl]oxy-1-methyl-2,3-dihydroindene-1-carbaldehyde
SMILESCC1(C=O)CCc2ccc(O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)cc21
InChIInChI=1S/C27H30O2Si/c1-26(2,3)30(23-11-7-5-8-12-23,24-13-9-6-10-14-24)29-22-16-15-21-17-18-27(4,20-28)25(21)19-22/h5-16,19-20H,17-18H2,1-4H3
InChIKeySNNSOTSNUNXBEV-UHFFFAOYSA-N
XLogP5.03
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.62
LogP ≤ 55.03
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 6-[tert-butyl(diphenyl)silyl]oxy-1-methyl-2,3-dihydroindene-1-carbaldehyde?
The IUPAC name of 6-[tert-butyl(diphenyl)silyl]oxy-1-methyl-2,3-dihydroindene-1-carbaldehyde (CID 54314982) is 6-[tert-butyl(diphenyl)silyl]oxy-1-methyl-2,3-dihydroindene-1-carbaldehyde.
What is the SMILES notation for 6-[tert-butyl(diphenyl)silyl]oxy-1-methyl-2,3-dihydroindene-1-carbaldehyde?
The canonical SMILES for 6-[tert-butyl(diphenyl)silyl]oxy-1-methyl-2,3-dihydroindene-1-carbaldehyde is CC1(C=O)CCc2ccc(O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)cc21.
What is the InChIKey of 6-[tert-butyl(diphenyl)silyl]oxy-1-methyl-2,3-dihydroindene-1-carbaldehyde?
The InChIKey is SNNSOTSNUNXBEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30O2Si/c1-26(2,3)30(23-11-7-5-8-12-23,24-13-9-6-10-14-24)29-22-16-15-21-17-18-27(4,20-28)25(21)19-22/h5-16,19-20H,17-18H2,1-4H3.
What are the key properties of 6-[tert-butyl(diphenyl)silyl]oxy-1-methyl-2,3-dihydroindene-1-carbaldehyde?
6-[tert-butyl(diphenyl)silyl]oxy-1-methyl-2,3-dihydroindene-1-carbaldehyde has a molecular weight of 414.62 g/mol, XLogP of 5.03, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[tert-butyl(diphenyl)silyl]oxy-1-methyl-2,3-dihydroindene-1-carbaldehyde is sourced from PubChem (CID 54314982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).