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

C15H22OSi — CID 11064715

IUPAC(Z)-3-[tert-butyl(dimethyl)silyl]-2-phenylprop-2-enal
SMILESCC(C)(C)[Si](C)(C)/C=C(\C=O)c1ccccc1
InChIInChI=1S/C15H22OSi/c1-15(2,3)17(4,5)12-14(11-16)13-9-7-6-8-10-13/h6-12H,1-5H3/b14-12+
InChIKeyJSOIXKJNARLDMN-WYMLVPIESA-N
MW246.43 g/mol
LogP4.32
Rot. Bonds3

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

(Z)-3-[tert-butyl(dimethyl)silyl]-2-phenylprop-2-enal (PubChem CID 11064715) has the molecular formula C15H22OSi and a molecular weight of 246.43 g/mol. Its IUPAC name is (Z)-3-[tert-butyl(dimethyl)silyl]-2-phenylprop-2-enal.

Molecular Properties

Compound Name(Z)-3-[tert-butyl(dimethyl)silyl]-2-phenylprop-2-enal
PubChem CID11064715
Molecular FormulaC15H22OSi
Molecular Weight246.43 g/mol
Exact Mass246.14
IUPAC Name(Z)-3-[tert-butyl(dimethyl)silyl]-2-phenylprop-2-enal
SMILESCC(C)(C)[Si](C)(C)/C=C(\C=O)c1ccccc1
InChIInChI=1S/C15H22OSi/c1-15(2,3)17(4,5)12-14(11-16)13-9-7-6-8-10-13/h6-12H,1-5H3/b14-12+
InChIKeyJSOIXKJNARLDMN-WYMLVPIESA-N
XLogP4.32
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.43
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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

3-methylsulfanyl-2-phenylprop-2-enal
CID 72960764
tert-butyl-[(Z)-2,3-diphenylprop-1-enyl]-dimethylsilane
CID 101151962
2-phenylbut-2-enal;hydrate
CID 172778769
benzoic acid;tert-butyl-hydroxy-dimethylsilane
CID 71403721
3-chloro-2-phenylprop-2-enal
CID 85438099
2-phenylhex-2-enal
CID 3023641
(E,4R)-5,5,5-trifluoro-4-methyl-2-phenylpent-2-enal
CID 125493234
(Z)-2-phenyl-3-tributylgermylprop-2-enal
CID 11132524
(E)-4,4-dimethyl-1-phenyl-1-trimethylsilylpent-1-en-3-one
CID 102522255
(E)-2-phenyl-3-thiophen-2-ylprop-2-enal
CID 10584747
acetaldehyde;benzoic acid
CID 142179743
3-[dimethyl(phenyl)silyl]benzoic acid
CID 134100094

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[tert-butyl(dimethyl)silyl]-2-phenylprop-2-enal?
The IUPAC name of (Z)-3-[tert-butyl(dimethyl)silyl]-2-phenylprop-2-enal (CID 11064715) is (Z)-3-[tert-butyl(dimethyl)silyl]-2-phenylprop-2-enal.
What is the SMILES notation for (Z)-3-[tert-butyl(dimethyl)silyl]-2-phenylprop-2-enal?
The canonical SMILES for (Z)-3-[tert-butyl(dimethyl)silyl]-2-phenylprop-2-enal is CC(C)(C)[Si](C)(C)/C=C(\C=O)c1ccccc1.
What is the InChIKey of (Z)-3-[tert-butyl(dimethyl)silyl]-2-phenylprop-2-enal?
The InChIKey is JSOIXKJNARLDMN-WYMLVPIESA-N. The full InChI is InChI=1S/C15H22OSi/c1-15(2,3)17(4,5)12-14(11-16)13-9-7-6-8-10-13/h6-12H,1-5H3/b14-12+.
What are the key properties of (Z)-3-[tert-butyl(dimethyl)silyl]-2-phenylprop-2-enal?
(Z)-3-[tert-butyl(dimethyl)silyl]-2-phenylprop-2-enal has a molecular weight of 246.43 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[tert-butyl(dimethyl)silyl]-2-phenylprop-2-enal is sourced from PubChem (CID 11064715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).