3-[3-[3-[tert-butyl(diphenyl)silyl]oxypropoxy]propoxy]propanal

C25H36O4Si — CID 171538124

IUPAC3-[3-[3-[tert-butyl(diphenyl)silyl]oxypropoxy]propoxy]propanal
SMILESCC(C)(C)[Si](OCCCOCCCOCCC=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H36O4Si/c1-25(2,3)30(23-13-6-4-7-14-23,24-15-8-5-9-16-24)29-22-12-21-28-20-11-19-27-18-10-17-26/h4-9,13-17H,10-12,18-22H2,1-3H3
InChIKeyARSQWSITBXFSMH-UHFFFAOYSA-N
MW428.65 g/mol
LogP3.97
Rot. Bonds14

About 3-[3-[3-[tert-butyl(diphenyl)silyl]oxypropoxy]propoxy]propanal

3-[3-[3-[tert-butyl(diphenyl)silyl]oxypropoxy]propoxy]propanal (PubChem CID 171538124) has the molecular formula C25H36O4Si and a molecular weight of 428.65 g/mol. Its IUPAC name is 3-[3-[3-[tert-butyl(diphenyl)silyl]oxypropoxy]propoxy]propanal.

Molecular Properties

Compound Name3-[3-[3-[tert-butyl(diphenyl)silyl]oxypropoxy]propoxy]propanal
PubChem CID171538124
Molecular FormulaC25H36O4Si
Molecular Weight428.65 g/mol
Exact Mass428.24
IUPAC Name3-[3-[3-[tert-butyl(diphenyl)silyl]oxypropoxy]propoxy]propanal
SMILESCC(C)(C)[Si](OCCCOCCCOCCC=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H36O4Si/c1-25(2,3)30(23-13-6-4-7-14-23,24-15-8-5-9-16-24)29-22-12-21-28-20-11-19-27-18-10-17-26/h4-9,13-17H,10-12,18-22H2,1-3H3
InChIKeyARSQWSITBXFSMH-UHFFFAOYSA-N
XLogP3.97
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.65
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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Related Compounds

2-[4-[tert-butyl(diphenyl)silyl]oxybutoxy]ethanol
CID 156707018
5-[tert-butyl(diphenyl)silyl]oxy-2-methylpentanal
CID 72966538
tert-butyl-[2-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]ethoxy]-diphenylsilane
CID 68632670
tert-butyl-(10-iododecoxy)-diphenylsilane
CID 10994946
tert-butyl-(5-iodopentoxy)-diphenylsilane
CID 10003991
(E)-6-[tert-butyl(diphenyl)silyl]oxyhex-4-enal
CID 11089492
tert-butyl-diphenyl-undec-10-enoxysilane
CID 25058521
3-bromopropoxy-tert-butyl-diphenylsilane
CID 11245865
5-[tert-butyl(diphenyl)silyl]oxy-2-methylidenepentanal
CID 10665724
tert-butyl-(2-iodoethoxy)-diphenylsilane
CID 11269862
tert-butyl-(6-chlorohex-4-enoxy)-diphenylsilane
CID 71404440
tert-butyl-[(E)-dec-5-enoxy]-diphenylsilane
CID 11188599

Frequently Asked Questions

What is the IUPAC name of 3-[3-[3-[tert-butyl(diphenyl)silyl]oxypropoxy]propoxy]propanal?
The IUPAC name of 3-[3-[3-[tert-butyl(diphenyl)silyl]oxypropoxy]propoxy]propanal (CID 171538124) is 3-[3-[3-[tert-butyl(diphenyl)silyl]oxypropoxy]propoxy]propanal.
What is the SMILES notation for 3-[3-[3-[tert-butyl(diphenyl)silyl]oxypropoxy]propoxy]propanal?
The canonical SMILES for 3-[3-[3-[tert-butyl(diphenyl)silyl]oxypropoxy]propoxy]propanal is CC(C)(C)[Si](OCCCOCCCOCCC=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-[3-[3-[tert-butyl(diphenyl)silyl]oxypropoxy]propoxy]propanal?
The InChIKey is ARSQWSITBXFSMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36O4Si/c1-25(2,3)30(23-13-6-4-7-14-23,24-15-8-5-9-16-24)29-22-12-21-28-20-11-19-27-18-10-17-26/h4-9,13-17H,10-12,18-22H2,1-3H3.
What are the key properties of 3-[3-[3-[tert-butyl(diphenyl)silyl]oxypropoxy]propoxy]propanal?
3-[3-[3-[tert-butyl(diphenyl)silyl]oxypropoxy]propoxy]propanal has a molecular weight of 428.65 g/mol, XLogP of 3.97, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[3-[tert-butyl(diphenyl)silyl]oxypropoxy]propoxy]propanal is sourced from PubChem (CID 171538124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).