9-[tert-butyl(diphenyl)silyl]oxynonanal

C25H36O2Si — CID 15287973

IUPAC9-[tert-butyl(diphenyl)silyl]oxynonanal
SMILESCC(C)(C)[Si](OCCCCCCCCC=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H36O2Si/c1-25(2,3)28(23-17-11-9-12-18-23,24-19-13-10-14-20-24)27-22-16-8-6-4-5-7-15-21-26/h9-14,17-21H,4-8,15-16,22H2,1-3H3
InChIKeyQEFCUDIECDGSLC-UHFFFAOYSA-N
MW396.65 g/mol
LogP5.49
Rot. Bonds12

About 9-[tert-butyl(diphenyl)silyl]oxynonanal

9-[tert-butyl(diphenyl)silyl]oxynonanal (PubChem CID 15287973) has the molecular formula C25H36O2Si and a molecular weight of 396.65 g/mol. Its IUPAC name is 9-[tert-butyl(diphenyl)silyl]oxynonanal.

Molecular Properties

Compound Name9-[tert-butyl(diphenyl)silyl]oxynonanal
PubChem CID15287973
Molecular FormulaC25H36O2Si
Molecular Weight396.65 g/mol
Exact Mass396.25
IUPAC Name9-[tert-butyl(diphenyl)silyl]oxynonanal
SMILESCC(C)(C)[Si](OCCCCCCCCC=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H36O2Si/c1-25(2,3)28(23-17-11-9-12-18-23,24-19-13-10-14-20-24)27-22-16-8-6-4-5-7-15-21-26/h9-14,17-21H,4-8,15-16,22H2,1-3H3
InChIKeyQEFCUDIECDGSLC-UHFFFAOYSA-N
XLogP5.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.65
LogP ≤ 55.49
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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Related Compounds

4-(Tert-butyldiphenylsilyloxy)butanal
CID 10871112
(3S)-3-Methyl-4-(tert-buty)diphenylsilyloxy)butanal
CID 10969882
6-[Tert-butyl(diphenyl)silyl]oxyhexan-2-one
CID 15889737
Silane, diphenyl(2-fluoroethoxy)nonyloxy-
CID 91717508
Silane, diphenyldecyloxy(2-fluoroethoxy)-
CID 91717512
Silane, diphenyldodecyloxy(2-fluoroethoxy)-
CID 91717513
Silane, diphenyl(2-fluoroethoxy)tridecyloxy-
CID 91717514
Silane, diphenyl(2-fluoroethoxy)pentadecyloxy-
CID 91717517
Silane, diphenyl(2-fluoroethoxy)hexadecyloxy-
CID 91717518
Silane, diphenyl(2-fluoroethoxy)heptadecyloxy-
CID 91717519
US11241393, Sil 25
CID 415120
(2S)-4-[tert-butyl(diphenyl)silyl]oxy-2-methylbutanal
CID 11013256

Frequently Asked Questions

What is the IUPAC name of 9-[tert-butyl(diphenyl)silyl]oxynonanal?
The IUPAC name of 9-[tert-butyl(diphenyl)silyl]oxynonanal (CID 15287973) is 9-[tert-butyl(diphenyl)silyl]oxynonanal.
What is the SMILES notation for 9-[tert-butyl(diphenyl)silyl]oxynonanal?
The canonical SMILES for 9-[tert-butyl(diphenyl)silyl]oxynonanal is CC(C)(C)[Si](OCCCCCCCCC=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 9-[tert-butyl(diphenyl)silyl]oxynonanal?
The InChIKey is QEFCUDIECDGSLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36O2Si/c1-25(2,3)28(23-17-11-9-12-18-23,24-19-13-10-14-20-24)27-22-16-8-6-4-5-7-15-21-26/h9-14,17-21H,4-8,15-16,22H2,1-3H3.
What are the key properties of 9-[tert-butyl(diphenyl)silyl]oxynonanal?
9-[tert-butyl(diphenyl)silyl]oxynonanal has a molecular weight of 396.65 g/mol, XLogP of 5.49, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[tert-butyl(diphenyl)silyl]oxynonanal is sourced from PubChem (CID 15287973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).