methyl (E,2S,3R)-2-acetamido-3-[dimethyl(phenyl)silyl]hex-4-enoate

C17H25NO3Si — CID 10358596

IUPACmethyl (E,2S,3R)-2-acetamido-3-[dimethyl(phenyl)silyl]hex-4-enoate
SMILESC/C=C/[C@H]([C@@H](NC(C)=O)C(=O)OC)[Si](C)(C)c1ccccc1
InChIInChI=1S/C17H25NO3Si/c1-6-10-15(16(17(20)21-3)18-13(2)19)22(4,5)14-11-8-7-9-12-14/h6-12,15-16H,1-5H3,(H,18,19)/b10-6+/t15-,16-/m1/s1
InChIKeyLGZQQWJMKJJTFG-SNWBSQOPSA-N
MW319.48 g/mol
LogP2.23
Rot. Bonds6

About methyl (E,2S,3R)-2-acetamido-3-[dimethyl(phenyl)silyl]hex-4-enoate

methyl (E,2S,3R)-2-acetamido-3-[dimethyl(phenyl)silyl]hex-4-enoate (PubChem CID 10358596) has the molecular formula C17H25NO3Si and a molecular weight of 319.48 g/mol. Its IUPAC name is methyl (E,2S,3R)-2-acetamido-3-[dimethyl(phenyl)silyl]hex-4-enoate.

Molecular Properties

Compound Namemethyl (E,2S,3R)-2-acetamido-3-[dimethyl(phenyl)silyl]hex-4-enoate
PubChem CID10358596
Molecular FormulaC17H25NO3Si
Molecular Weight319.48 g/mol
Exact Mass319.16
IUPAC Namemethyl (E,2S,3R)-2-acetamido-3-[dimethyl(phenyl)silyl]hex-4-enoate
SMILESC/C=C/[C@H]([C@@H](NC(C)=O)C(=O)OC)[Si](C)(C)c1ccccc1
InChIInChI=1S/C17H25NO3Si/c1-6-10-15(16(17(20)21-3)18-13(2)19)22(4,5)14-11-8-7-9-12-14/h6-12,15-16H,1-5H3,(H,18,19)/b10-6+/t15-,16-/m1/s1
InChIKeyLGZQQWJMKJJTFG-SNWBSQOPSA-N
XLogP2.23
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.48
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl (E,2S,3R)-3-[dimethyl(phenyl)silyl]-2-(methoxycarbonylamino)hex-4-enoate
CID 10382333
dimethyl-[(Z,3S)-2-methylhex-4-en-3-yl]-phenylsilane
CID 52921003
methyl (3R)-3-[dimethyl(phenyl)silyl]hex-4-enoate
CID 171320236
[(E)-1-[dimethyl(phenyl)silyl]but-2-enyl] acetate
CID 14715781
(E,2S,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[dimethyl(phenyl)silyl]hex-4-enoic acid
CID 15049425
methyl (2S,3R)-3-[dimethyl(phenyl)silyl]-2-(2-oxoethyl)pent-4-enoate
CID 101416087
dimethyl 2-[dimethyl(phenyl)silyl]-3-methylbutanedioate
CID 15414955
(1-acetamido-2-methoxy-2-oxoethyl)-triphenylphosphanium
CID 11202417
methyl (E,2R,3S)-2-acetamido-3-ethyl-5-phenylpent-4-enoate
CID 15408383
methyl (2R,3S,4R,5R)-3-[dimethyl(phenyl)silyl]-4,5-dihydroxy-2-(methoxycarbonylamino)hexanoate
CID 10248537
(E,2S,3R)-2-benzyl-3-[dimethyl(phenyl)silyl]hex-4-en-1-ol
CID 11141904
methyl (2S,3R)-2-acetamido-3-(4-chlorophenyl)-3-phenylpropanoate
CID 162402185

Frequently Asked Questions

What is the IUPAC name of methyl (E,2S,3R)-2-acetamido-3-[dimethyl(phenyl)silyl]hex-4-enoate?
The IUPAC name of methyl (E,2S,3R)-2-acetamido-3-[dimethyl(phenyl)silyl]hex-4-enoate (CID 10358596) is methyl (E,2S,3R)-2-acetamido-3-[dimethyl(phenyl)silyl]hex-4-enoate.
What is the SMILES notation for methyl (E,2S,3R)-2-acetamido-3-[dimethyl(phenyl)silyl]hex-4-enoate?
The canonical SMILES for methyl (E,2S,3R)-2-acetamido-3-[dimethyl(phenyl)silyl]hex-4-enoate is C/C=C/[C@H]([C@@H](NC(C)=O)C(=O)OC)[Si](C)(C)c1ccccc1.
What is the InChIKey of methyl (E,2S,3R)-2-acetamido-3-[dimethyl(phenyl)silyl]hex-4-enoate?
The InChIKey is LGZQQWJMKJJTFG-SNWBSQOPSA-N. The full InChI is InChI=1S/C17H25NO3Si/c1-6-10-15(16(17(20)21-3)18-13(2)19)22(4,5)14-11-8-7-9-12-14/h6-12,15-16H,1-5H3,(H,18,19)/b10-6+/t15-,16-/m1/s1.
What are the key properties of methyl (E,2S,3R)-2-acetamido-3-[dimethyl(phenyl)silyl]hex-4-enoate?
methyl (E,2S,3R)-2-acetamido-3-[dimethyl(phenyl)silyl]hex-4-enoate has a molecular weight of 319.48 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E,2S,3R)-2-acetamido-3-[dimethyl(phenyl)silyl]hex-4-enoate is sourced from PubChem (CID 10358596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).