(E)-7-[tert-butyl(diphenyl)silyl]oxyhept-2-enal

C23H30O2Si — CID 24873775

IUPAC(E)-7-[tert-butyl(diphenyl)silyl]oxyhept-2-enal
SMILESCC(C)(C)[Si](OCCCC/C=C/C=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H30O2Si/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/h5,7-13,15-19H,4,6,14,20H2,1-3H3/b13-5+
InChIKeyWTKORRIRAOYLLL-WLRTZDKTSA-N
MW366.58 g/mol
LogP4.49
Rot. Bonds9

About (E)-7-[tert-butyl(diphenyl)silyl]oxyhept-2-enal

(E)-7-[tert-butyl(diphenyl)silyl]oxyhept-2-enal (PubChem CID 24873775) has the molecular formula C23H30O2Si and a molecular weight of 366.58 g/mol. Its IUPAC name is (E)-7-[tert-butyl(diphenyl)silyl]oxyhept-2-enal.

Molecular Properties

Compound Name(E)-7-[tert-butyl(diphenyl)silyl]oxyhept-2-enal
PubChem CID24873775
Molecular FormulaC23H30O2Si
Molecular Weight366.58 g/mol
Exact Mass366.20
IUPAC Name(E)-7-[tert-butyl(diphenyl)silyl]oxyhept-2-enal
SMILESCC(C)(C)[Si](OCCCC/C=C/C=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H30O2Si/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/h5,7-13,15-19H,4,6,14,20H2,1-3H3/b13-5+
InChIKeyWTKORRIRAOYLLL-WLRTZDKTSA-N
XLogP4.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.58
LogP ≤ 54.49
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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-7-[tert-butyl(diphenyl)silyl]oxyhept-2-enal?
The IUPAC name of (E)-7-[tert-butyl(diphenyl)silyl]oxyhept-2-enal (CID 24873775) is (E)-7-[tert-butyl(diphenyl)silyl]oxyhept-2-enal.
What is the SMILES notation for (E)-7-[tert-butyl(diphenyl)silyl]oxyhept-2-enal?
The canonical SMILES for (E)-7-[tert-butyl(diphenyl)silyl]oxyhept-2-enal is CC(C)(C)[Si](OCCCC/C=C/C=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (E)-7-[tert-butyl(diphenyl)silyl]oxyhept-2-enal?
The InChIKey is WTKORRIRAOYLLL-WLRTZDKTSA-N. The full InChI is InChI=1S/C23H30O2Si/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/h5,7-13,15-19H,4,6,14,20H2,1-3H3/b13-5+.
What are the key properties of (E)-7-[tert-butyl(diphenyl)silyl]oxyhept-2-enal?
(E)-7-[tert-butyl(diphenyl)silyl]oxyhept-2-enal has a molecular weight of 366.58 g/mol, XLogP of 4.49, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-7-[tert-butyl(diphenyl)silyl]oxyhept-2-enal is sourced from PubChem (CID 24873775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).