7-[tert-butyl(diphenyl)silyl]oxyheptanal

C23H32O2Si — CID 10883126

IUPAC7-[tert-butyl(diphenyl)silyl]oxyheptanal
SMILESCC(C)(C)[Si](OCCCCCCC=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H32O2Si/c1-23(2,3)26(21-15-9-7-10-16-21,22-17-11-8-12-18-22)25-20-14-6-4-5-13-19-24/h7-12,15-19H,4-6,13-14,20H2,1-3H3
InChIKeyQOWJHQXRFIGPJY-UHFFFAOYSA-N
MW368.59 g/mol
LogP4.71
Rot. Bonds10

About 7-[tert-butyl(diphenyl)silyl]oxyheptanal

7-[tert-butyl(diphenyl)silyl]oxyheptanal (PubChem CID 10883126) has the molecular formula C23H32O2Si and a molecular weight of 368.59 g/mol. Its IUPAC name is 7-[tert-butyl(diphenyl)silyl]oxyheptanal.

Molecular Properties

Compound Name7-[tert-butyl(diphenyl)silyl]oxyheptanal
PubChem CID10883126
Molecular FormulaC23H32O2Si
Molecular Weight368.59 g/mol
Exact Mass368.22
IUPAC Name7-[tert-butyl(diphenyl)silyl]oxyheptanal
SMILESCC(C)(C)[Si](OCCCCCCC=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H32O2Si/c1-23(2,3)26(21-15-9-7-10-16-21,22-17-11-8-12-18-22)25-20-14-6-4-5-13-19-24/h7-12,15-19H,4-6,13-14,20H2,1-3H3
InChIKeyQOWJHQXRFIGPJY-UHFFFAOYSA-N
XLogP4.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.59
LogP ≤ 54.71
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 7-[tert-butyl(diphenyl)silyl]oxyheptanal?
The IUPAC name of 7-[tert-butyl(diphenyl)silyl]oxyheptanal (CID 10883126) is 7-[tert-butyl(diphenyl)silyl]oxyheptanal.
What is the SMILES notation for 7-[tert-butyl(diphenyl)silyl]oxyheptanal?
The canonical SMILES for 7-[tert-butyl(diphenyl)silyl]oxyheptanal is CC(C)(C)[Si](OCCCCCCC=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 7-[tert-butyl(diphenyl)silyl]oxyheptanal?
The InChIKey is QOWJHQXRFIGPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32O2Si/c1-23(2,3)26(21-15-9-7-10-16-21,22-17-11-8-12-18-22)25-20-14-6-4-5-13-19-24/h7-12,15-19H,4-6,13-14,20H2,1-3H3.
What are the key properties of 7-[tert-butyl(diphenyl)silyl]oxyheptanal?
7-[tert-butyl(diphenyl)silyl]oxyheptanal has a molecular weight of 368.59 g/mol, XLogP of 4.71, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[tert-butyl(diphenyl)silyl]oxyheptanal is sourced from PubChem (CID 10883126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).