2-[tert-butyl(dimethyl)silyl]oxy-3-phenylprop-2-enal

C15H22O2Si — CID 175337315

IUPAC2-[tert-butyl(dimethyl)silyl]oxy-3-phenylprop-2-enal
SMILESCC(C)(C)[Si](C)(C)OC(C=O)=Cc1ccccc1
InChIInChI=1S/C15H22O2Si/c1-15(2,3)18(4,5)17-14(12-16)11-13-9-7-6-8-10-13/h6-12H,1-5H3
InChIKeySZMJSFAOIUWRJQ-UHFFFAOYSA-N
MW262.43 g/mol
LogP4.25
Rot. Bonds4

About 2-[tert-butyl(dimethyl)silyl]oxy-3-phenylprop-2-enal

2-[tert-butyl(dimethyl)silyl]oxy-3-phenylprop-2-enal (PubChem CID 175337315) has the molecular formula C15H22O2Si and a molecular weight of 262.43 g/mol. Its IUPAC name is 2-[tert-butyl(dimethyl)silyl]oxy-3-phenylprop-2-enal.

Molecular Properties

Compound Name2-[tert-butyl(dimethyl)silyl]oxy-3-phenylprop-2-enal
PubChem CID175337315
Molecular FormulaC15H22O2Si
Molecular Weight262.43 g/mol
Exact Mass262.14
IUPAC Name2-[tert-butyl(dimethyl)silyl]oxy-3-phenylprop-2-enal
SMILESCC(C)(C)[Si](C)(C)OC(C=O)=Cc1ccccc1
InChIInChI=1S/C15H22O2Si/c1-15(2,3)18(4,5)17-14(12-16)11-13-9-7-6-8-10-13/h6-12H,1-5H3
InChIKeySZMJSFAOIUWRJQ-UHFFFAOYSA-N
XLogP4.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.43
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

tert-butyl-[(Z)-1,2-diphenylethenoxy]-dimethylsilane
CID 10358065
tert-butyl-[(1Z)-1-(4-fluorophenyl)buta-1,3-dien-2-yl]oxy-dimethylsilane
CID 21099309
2-(hydroxymethoxy)-3-phenylprop-2-enal
CID 54119868
tert-butyl-dimethyl-[(Z)-1-phenylprop-1-enoxy]silane
CID 10377349
bis[tert-butyl(dimethyl)silyl] benzene-1,2-dicarboxylate
CID 630744
2-[tert-butyl(dimethyl)silyl]oxypent-2-enal
CID 150347977
tert-butyl-dimethyl-(2-methyl-1-phenylprop-1-enoxy)silane
CID 11391374
tert-butyl-dimethyl-(2-phenylethenoxy)silane
CID 10466833
[tert-butyl(dimethyl)silyl] 2-phenylacetate
CID 528591
methyl (2E)-2-benzylidene-4-[tert-butyl(dimethyl)silyl]oxybutanoate
CID 101432797
trimethyl-[(Z)-1-phenylprop-1-en-2-yl]oxysilane
CID 10822185
2-benzylidene-3,3-dimethylpentanal
CID 175908498

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-3-phenylprop-2-enal?
The IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-3-phenylprop-2-enal (CID 175337315) is 2-[tert-butyl(dimethyl)silyl]oxy-3-phenylprop-2-enal.
What is the SMILES notation for 2-[tert-butyl(dimethyl)silyl]oxy-3-phenylprop-2-enal?
The canonical SMILES for 2-[tert-butyl(dimethyl)silyl]oxy-3-phenylprop-2-enal is CC(C)(C)[Si](C)(C)OC(C=O)=Cc1ccccc1.
What is the InChIKey of 2-[tert-butyl(dimethyl)silyl]oxy-3-phenylprop-2-enal?
The InChIKey is SZMJSFAOIUWRJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2Si/c1-15(2,3)18(4,5)17-14(12-16)11-13-9-7-6-8-10-13/h6-12H,1-5H3.
What are the key properties of 2-[tert-butyl(dimethyl)silyl]oxy-3-phenylprop-2-enal?
2-[tert-butyl(dimethyl)silyl]oxy-3-phenylprop-2-enal has a molecular weight of 262.43 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(dimethyl)silyl]oxy-3-phenylprop-2-enal is sourced from PubChem (CID 175337315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).