methyl (2S,3R)-3-[dimethyl(phenyl)silyl]-2-(2-oxoethyl)pent-4-enoate

C16H22O3Si — CID 101416087

IUPACmethyl (2S,3R)-3-[dimethyl(phenyl)silyl]-2-(2-oxoethyl)pent-4-enoate
SMILESC=C[C@H]([C@@H](CC=O)C(=O)OC)[Si](C)(C)c1ccccc1
InChIInChI=1S/C16H22O3Si/c1-5-15(14(11-12-17)16(18)19-2)20(3,4)13-9-7-6-8-10-13/h5-10,12,14-15H,1,11H2,2-4H3/t14-,15-/m1/s1
InChIKeyNYVHNEWOGXUUJK-HUUCEWRRSA-N
MW290.44 g/mol
LogP2.54
Rot. Bonds7

About methyl (2S,3R)-3-[dimethyl(phenyl)silyl]-2-(2-oxoethyl)pent-4-enoate

methyl (2S,3R)-3-[dimethyl(phenyl)silyl]-2-(2-oxoethyl)pent-4-enoate (PubChem CID 101416087) has the molecular formula C16H22O3Si and a molecular weight of 290.44 g/mol. Its IUPAC name is methyl (2S,3R)-3-[dimethyl(phenyl)silyl]-2-(2-oxoethyl)pent-4-enoate.

Molecular Properties

Compound Namemethyl (2S,3R)-3-[dimethyl(phenyl)silyl]-2-(2-oxoethyl)pent-4-enoate
PubChem CID101416087
Molecular FormulaC16H22O3Si
Molecular Weight290.44 g/mol
Exact Mass290.13
IUPAC Namemethyl (2S,3R)-3-[dimethyl(phenyl)silyl]-2-(2-oxoethyl)pent-4-enoate
SMILESC=C[C@H]([C@@H](CC=O)C(=O)OC)[Si](C)(C)c1ccccc1
InChIInChI=1S/C16H22O3Si/c1-5-15(14(11-12-17)16(18)19-2)20(3,4)13-9-7-6-8-10-13/h5-10,12,14-15H,1,11H2,2-4H3/t14-,15-/m1/s1
InChIKeyNYVHNEWOGXUUJK-HUUCEWRRSA-N
XLogP2.54
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.44
LogP ≤ 52.54
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

methyl (E,5S)-5-[dimethyl(phenyl)silyl]-7-oxohept-2-enoate
CID 11011733
methyl (E,2S,3R)-2-acetamido-3-[dimethyl(phenyl)silyl]hex-4-enoate
CID 10358596
methyl (E,2S,3R)-3-[dimethyl(phenyl)silyl]-2-(methoxycarbonylamino)hex-4-enoate
CID 10382333
[(3R,4S)-4-methoxy-5-phenylpent-1-en-3-yl]-dimethyl-phenylsilane
CID 102436050
methyl (3S)-3-[(1S)-1-[dimethyl(phenyl)silyl]ethyl]pent-4-enoate
CID 135804698
dimethyl 2-[dimethyl(phenyl)silyl]-3-methylbutanedioate
CID 15414955
methyl (2R)-2-[(R)-phenyl(trimethylsilyloxy)methyl]pent-4-enoate
CID 101058397
3-[dimethyl(phenyl)silyl]-3-trimethylsilylpropanal
CID 102292717
methyl 2-benzyl-4-oxobutanoate
CID 10608348
dimethyl (2S)-2-[(1S)-1-[dimethyl(phenyl)silyl]-2-methylpropyl]pentanedioate
CID 135776484
methyl 2-(2-oxoethyl)but-3-enoate
CID 123768529
4-O-benzyl 1-O-methyl (2S,3S)-2-(2-oxoethyl)-3-(phenylmethoxycarbonylamino)butanedioate
CID 59108919

Frequently Asked Questions

What is the IUPAC name of methyl (2S,3R)-3-[dimethyl(phenyl)silyl]-2-(2-oxoethyl)pent-4-enoate?
The IUPAC name of methyl (2S,3R)-3-[dimethyl(phenyl)silyl]-2-(2-oxoethyl)pent-4-enoate (CID 101416087) is methyl (2S,3R)-3-[dimethyl(phenyl)silyl]-2-(2-oxoethyl)pent-4-enoate.
What is the SMILES notation for methyl (2S,3R)-3-[dimethyl(phenyl)silyl]-2-(2-oxoethyl)pent-4-enoate?
The canonical SMILES for methyl (2S,3R)-3-[dimethyl(phenyl)silyl]-2-(2-oxoethyl)pent-4-enoate is C=C[C@H]([C@@H](CC=O)C(=O)OC)[Si](C)(C)c1ccccc1.
What is the InChIKey of methyl (2S,3R)-3-[dimethyl(phenyl)silyl]-2-(2-oxoethyl)pent-4-enoate?
The InChIKey is NYVHNEWOGXUUJK-HUUCEWRRSA-N. The full InChI is InChI=1S/C16H22O3Si/c1-5-15(14(11-12-17)16(18)19-2)20(3,4)13-9-7-6-8-10-13/h5-10,12,14-15H,1,11H2,2-4H3/t14-,15-/m1/s1.
What are the key properties of methyl (2S,3R)-3-[dimethyl(phenyl)silyl]-2-(2-oxoethyl)pent-4-enoate?
methyl (2S,3R)-3-[dimethyl(phenyl)silyl]-2-(2-oxoethyl)pent-4-enoate has a molecular weight of 290.44 g/mol, XLogP of 2.54, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,3R)-3-[dimethyl(phenyl)silyl]-2-(2-oxoethyl)pent-4-enoate is sourced from PubChem (CID 101416087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).