ethyl 3-[dimethyl(phenyl)silyl]-2,4-dimethylpent-3-enoate

C17H26O2Si — CID 134863157

IUPACethyl 3-[dimethyl(phenyl)silyl]-2,4-dimethylpent-3-enoate
SMILESCCOC(=O)C(C)C(=C(C)C)[Si](C)(C)c1ccccc1
InChIInChI=1S/C17H26O2Si/c1-7-19-17(18)14(4)16(13(2)3)20(5,6)15-11-9-8-10-12-15/h8-12,14H,7H2,1-6H3
InChIKeySWRZLJADJQFDQN-UHFFFAOYSA-N
MW290.48 g/mol
LogP3.68
Rot. Bonds5

About ethyl 3-[dimethyl(phenyl)silyl]-2,4-dimethylpent-3-enoate

ethyl 3-[dimethyl(phenyl)silyl]-2,4-dimethylpent-3-enoate (PubChem CID 134863157) has the molecular formula C17H26O2Si and a molecular weight of 290.48 g/mol. Its IUPAC name is ethyl 3-[dimethyl(phenyl)silyl]-2,4-dimethylpent-3-enoate.

Molecular Properties

Compound Nameethyl 3-[dimethyl(phenyl)silyl]-2,4-dimethylpent-3-enoate
PubChem CID134863157
Molecular FormulaC17H26O2Si
Molecular Weight290.48 g/mol
Exact Mass290.17
IUPAC Nameethyl 3-[dimethyl(phenyl)silyl]-2,4-dimethylpent-3-enoate
SMILESCCOC(=O)C(C)C(=C(C)C)[Si](C)(C)c1ccccc1
InChIInChI=1S/C17H26O2Si/c1-7-19-17(18)14(4)16(13(2)3)20(5,6)15-11-9-8-10-12-15/h8-12,14H,7H2,1-6H3
InChIKeySWRZLJADJQFDQN-UHFFFAOYSA-N
XLogP3.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.48
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 174542693
ethyl (E)-2-[dimethyl(phenyl)silyl]-3-trimethylsilylprop-2-enoate
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ethyl (2R)-2-amino-3-[dimethyl(phenyl)silyl]propanoate
CID 102211729
ethyl 2-bromo-2-triphenylsilylacetate
CID 134832270
ethyl 3-[dimethyl(phenyl)silyl]but-3-enoate
CID 134967582
ethyl (E)-3-[dimethyl(phenyl)silyl]pent-2-enoate
CID 135057916
ethyl (2S)-2-phenylpropanoate
CID 7204861
1-[dimethyl(phenyl)silyl]butan-1-one
CID 10822186
ethyl (2R)-2-methyl-5-phenyl-3-trimethylsilylpenta-3,4-dienoate
CID 164685697
octyl (Z)-3-[dimethyl(phenyl)silyl]but-2-enoate
CID 102185798
ethyl (2S,3E)-2-methyl-3-[(2-phenylacetyl)hydrazinylidene]butanoate
CID 40557193
ethyl (2R,3S)-3-amino-2-methyl-3-phenylpropanoate
CID 142202479

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[dimethyl(phenyl)silyl]-2,4-dimethylpent-3-enoate?
The IUPAC name of ethyl 3-[dimethyl(phenyl)silyl]-2,4-dimethylpent-3-enoate (CID 134863157) is ethyl 3-[dimethyl(phenyl)silyl]-2,4-dimethylpent-3-enoate.
What is the SMILES notation for ethyl 3-[dimethyl(phenyl)silyl]-2,4-dimethylpent-3-enoate?
The canonical SMILES for ethyl 3-[dimethyl(phenyl)silyl]-2,4-dimethylpent-3-enoate is CCOC(=O)C(C)C(=C(C)C)[Si](C)(C)c1ccccc1.
What is the InChIKey of ethyl 3-[dimethyl(phenyl)silyl]-2,4-dimethylpent-3-enoate?
The InChIKey is SWRZLJADJQFDQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2Si/c1-7-19-17(18)14(4)16(13(2)3)20(5,6)15-11-9-8-10-12-15/h8-12,14H,7H2,1-6H3.
What are the key properties of ethyl 3-[dimethyl(phenyl)silyl]-2,4-dimethylpent-3-enoate?
ethyl 3-[dimethyl(phenyl)silyl]-2,4-dimethylpent-3-enoate has a molecular weight of 290.48 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[dimethyl(phenyl)silyl]-2,4-dimethylpent-3-enoate is sourced from PubChem (CID 134863157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).