[(E)-4-[dimethyl(phenyl)silyl]-3-formylbut-3-en-2-yl] acetate

C15H20O3Si — CID 177387999

IUPAC[(E)-4-[dimethyl(phenyl)silyl]-3-formylbut-3-en-2-yl] acetate
SMILESCC(=O)OC(C)/C(C=O)=C\[Si](C)(C)c1ccccc1
InChIInChI=1S/C15H20O3Si/c1-12(18-13(2)17)14(10-16)11-19(3,4)15-8-6-5-7-9-15/h5-12H,1-4H3/b14-11-
InChIKeyCWTSLOOPTWJKCL-KAMYIIQDSA-N
MW276.41 g/mol
LogP2.22
Rot. Bonds5

About [(E)-4-[dimethyl(phenyl)silyl]-3-formylbut-3-en-2-yl] acetate

[(E)-4-[dimethyl(phenyl)silyl]-3-formylbut-3-en-2-yl] acetate (PubChem CID 177387999) has the molecular formula C15H20O3Si and a molecular weight of 276.41 g/mol. Its IUPAC name is [(E)-4-[dimethyl(phenyl)silyl]-3-formylbut-3-en-2-yl] acetate.

Molecular Properties

Compound Name[(E)-4-[dimethyl(phenyl)silyl]-3-formylbut-3-en-2-yl] acetate
PubChem CID177387999
Molecular FormulaC15H20O3Si
Molecular Weight276.41 g/mol
Exact Mass276.12
IUPAC Name[(E)-4-[dimethyl(phenyl)silyl]-3-formylbut-3-en-2-yl] acetate
SMILESCC(=O)OC(C)/C(C=O)=C\[Si](C)(C)c1ccccc1
InChIInChI=1S/C15H20O3Si/c1-12(18-13(2)17)14(10-16)11-19(3,4)15-8-6-5-7-9-15/h5-12H,1-4H3/b14-11-
InChIKeyCWTSLOOPTWJKCL-KAMYIIQDSA-N
XLogP2.22
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

(E)-1-[dimethyl(phenyl)silyl]-4-methylpent-1-en-3-one
CID 23649548
[(2R)-3-methyl-4-phenylbut-3-en-2-yl] acetate
CID 57372595
(2E)-2-[[dimethyl(phenyl)silyl]methylidene]butanal
CID 134895963
[(E)-1-[dimethyl(phenyl)silyl]but-2-enyl] acetate
CID 14715781
(E)-3-[dimethyl(phenyl)silyl]prop-2-enoic acid
CID 10104447
(1-phenyl-1-sulfanylidenepropan-2-yl) acetate
CID 173407900
[(Z)-3-chloro-4-phenylbut-3-en-2-yl] acetate
CID 10823055
(5-hydroxy-3-oxo-5-phenylpentan-2-yl) acetate
CID 101451828
1-[4-[(Z)-2-[dimethyl(phenyl)silyl]ethenyl]phenyl]ethanone
CID 11652058
(1E,3S,4S)-1-[dimethyl(phenyl)silyl]-2,4-dimethylhexa-1,5-dien-3-ol
CID 162415777
[(2S)-1-anilino-1-oxopropan-2-yl] acetate
CID 7000051
(2-methyl-3-oxo-1-phenylpropyl) acetate
CID 122223707

Frequently Asked Questions

What is the IUPAC name of [(E)-4-[dimethyl(phenyl)silyl]-3-formylbut-3-en-2-yl] acetate?
The IUPAC name of [(E)-4-[dimethyl(phenyl)silyl]-3-formylbut-3-en-2-yl] acetate (CID 177387999) is [(E)-4-[dimethyl(phenyl)silyl]-3-formylbut-3-en-2-yl] acetate.
What is the SMILES notation for [(E)-4-[dimethyl(phenyl)silyl]-3-formylbut-3-en-2-yl] acetate?
The canonical SMILES for [(E)-4-[dimethyl(phenyl)silyl]-3-formylbut-3-en-2-yl] acetate is CC(=O)OC(C)/C(C=O)=C\[Si](C)(C)c1ccccc1.
What is the InChIKey of [(E)-4-[dimethyl(phenyl)silyl]-3-formylbut-3-en-2-yl] acetate?
The InChIKey is CWTSLOOPTWJKCL-KAMYIIQDSA-N. The full InChI is InChI=1S/C15H20O3Si/c1-12(18-13(2)17)14(10-16)11-19(3,4)15-8-6-5-7-9-15/h5-12H,1-4H3/b14-11-.
What are the key properties of [(E)-4-[dimethyl(phenyl)silyl]-3-formylbut-3-en-2-yl] acetate?
[(E)-4-[dimethyl(phenyl)silyl]-3-formylbut-3-en-2-yl] acetate has a molecular weight of 276.41 g/mol, XLogP of 2.22, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-4-[dimethyl(phenyl)silyl]-3-formylbut-3-en-2-yl] acetate is sourced from PubChem (CID 177387999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).