8-[tert-butyl(diphenyl)silyl]oxyoctanal

C24H34O2Si — CID 15785473

IUPAC8-[tert-butyl(diphenyl)silyl]oxyoctanal
SMILESCC(C)(C)[Si](OCCCCCCCC=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H34O2Si/c1-24(2,3)27(22-16-10-8-11-17-22,23-18-12-9-13-19-23)26-21-15-7-5-4-6-14-20-25/h8-13,16-20H,4-7,14-15,21H2,1-3H3
InChIKeyRJDVZYUFZBULOI-UHFFFAOYSA-N
MW382.62 g/mol
LogP5.10
Rot. Bonds11

About 8-[tert-butyl(diphenyl)silyl]oxyoctanal

8-[tert-butyl(diphenyl)silyl]oxyoctanal (PubChem CID 15785473) has the molecular formula C24H34O2Si and a molecular weight of 382.62 g/mol. Its IUPAC name is 8-[tert-butyl(diphenyl)silyl]oxyoctanal.

Molecular Properties

Compound Name8-[tert-butyl(diphenyl)silyl]oxyoctanal
PubChem CID15785473
Molecular FormulaC24H34O2Si
Molecular Weight382.62 g/mol
Exact Mass382.23
IUPAC Name8-[tert-butyl(diphenyl)silyl]oxyoctanal
SMILESCC(C)(C)[Si](OCCCCCCCC=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H34O2Si/c1-24(2,3)27(22-16-10-8-11-17-22,23-18-12-9-13-19-23)26-21-15-7-5-4-6-14-20-25/h8-13,16-20H,4-7,14-15,21H2,1-3H3
InChIKeyRJDVZYUFZBULOI-UHFFFAOYSA-N
XLogP5.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.62
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 8-[tert-butyl(diphenyl)silyl]oxyoctanal?
The IUPAC name of 8-[tert-butyl(diphenyl)silyl]oxyoctanal (CID 15785473) is 8-[tert-butyl(diphenyl)silyl]oxyoctanal.
What is the SMILES notation for 8-[tert-butyl(diphenyl)silyl]oxyoctanal?
The canonical SMILES for 8-[tert-butyl(diphenyl)silyl]oxyoctanal is CC(C)(C)[Si](OCCCCCCCC=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 8-[tert-butyl(diphenyl)silyl]oxyoctanal?
The InChIKey is RJDVZYUFZBULOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34O2Si/c1-24(2,3)27(22-16-10-8-11-17-22,23-18-12-9-13-19-23)26-21-15-7-5-4-6-14-20-25/h8-13,16-20H,4-7,14-15,21H2,1-3H3.
What are the key properties of 8-[tert-butyl(diphenyl)silyl]oxyoctanal?
8-[tert-butyl(diphenyl)silyl]oxyoctanal has a molecular weight of 382.62 g/mol, XLogP of 5.10, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[tert-butyl(diphenyl)silyl]oxyoctanal is sourced from PubChem (CID 15785473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).