3-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropanal

C15H24O2Si — CID 14734748

IUPAC3-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropanal
SMILESCC(C)(C)[Si](C)(C)OC(CC=O)c1ccccc1
InChIInChI=1S/C15H24O2Si/c1-15(2,3)18(4,5)17-14(11-12-16)13-9-7-6-8-10-13/h6-10,12,14H,11H2,1-5H3
InChIKeyNPDZMJZFCWNCRR-UHFFFAOYSA-N
MW264.44 g/mol
LogP4.34
Rot. Bonds5

About 3-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropanal

3-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropanal (PubChem CID 14734748) has the molecular formula C15H24O2Si and a molecular weight of 264.44 g/mol. Its IUPAC name is 3-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropanal.

Molecular Properties

Compound Name3-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropanal
PubChem CID14734748
Molecular FormulaC15H24O2Si
Molecular Weight264.44 g/mol
Exact Mass264.15
IUPAC Name3-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropanal
SMILESCC(C)(C)[Si](C)(C)OC(CC=O)c1ccccc1
InChIInChI=1S/C15H24O2Si/c1-15(2,3)18(4,5)17-14(11-12-16)13-9-7-6-8-10-13/h6-10,12,14H,11H2,1-5H3
InChIKeyNPDZMJZFCWNCRR-UHFFFAOYSA-N
XLogP4.34
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.44
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropanal?
The IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropanal (CID 14734748) is 3-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropanal.
What is the SMILES notation for 3-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropanal?
The canonical SMILES for 3-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropanal is CC(C)(C)[Si](C)(C)OC(CC=O)c1ccccc1.
What is the InChIKey of 3-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropanal?
The InChIKey is NPDZMJZFCWNCRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2Si/c1-15(2,3)18(4,5)17-14(11-12-16)13-9-7-6-8-10-13/h6-10,12,14H,11H2,1-5H3.
What are the key properties of 3-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropanal?
3-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropanal has a molecular weight of 264.44 g/mol, XLogP of 4.34, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropanal is sourced from PubChem (CID 14734748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).