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

C17H25NO4Si — CID 10382333

IUPACmethyl (E,2S,3R)-3-[dimethyl(phenyl)silyl]-2-(methoxycarbonylamino)hex-4-enoate
SMILESC/C=C/[C@H]([C@@H](NC(=O)OC)C(=O)OC)[Si](C)(C)c1ccccc1
InChIInChI=1S/C17H25NO4Si/c1-6-10-14(15(16(19)21-2)18-17(20)22-3)23(4,5)13-11-8-7-9-12-13/h6-12,14-15H,1-5H3,(H,18,20)/b10-6+/t14-,15-/m1/s1
InChIKeyRIFDTBYFUBYRCC-ILJFBXALSA-N
MW335.48 g/mol
LogP2.45
Rot. Bonds6

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

methyl (E,2S,3R)-3-[dimethyl(phenyl)silyl]-2-(methoxycarbonylamino)hex-4-enoate (PubChem CID 10382333) has the molecular formula C17H25NO4Si and a molecular weight of 335.48 g/mol. Its IUPAC name is methyl (E,2S,3R)-3-[dimethyl(phenyl)silyl]-2-(methoxycarbonylamino)hex-4-enoate.

Molecular Properties

Compound Namemethyl (E,2S,3R)-3-[dimethyl(phenyl)silyl]-2-(methoxycarbonylamino)hex-4-enoate
PubChem CID10382333
Molecular FormulaC17H25NO4Si
Molecular Weight335.48 g/mol
Exact Mass335.16
IUPAC Namemethyl (E,2S,3R)-3-[dimethyl(phenyl)silyl]-2-(methoxycarbonylamino)hex-4-enoate
SMILESC/C=C/[C@H]([C@@H](NC(=O)OC)C(=O)OC)[Si](C)(C)c1ccccc1
InChIInChI=1S/C17H25NO4Si/c1-6-10-14(15(16(19)21-2)18-17(20)22-3)23(4,5)13-11-8-7-9-12-13/h6-12,14-15H,1-5H3,(H,18,20)/b10-6+/t14-,15-/m1/s1
InChIKeyRIFDTBYFUBYRCC-ILJFBXALSA-N
XLogP2.45
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.48
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl (E,2S,3R)-3-[dimethyl(phenyl)silyl]-2-(methoxycarbonylamino)hex-4-enoate?
The IUPAC name of methyl (E,2S,3R)-3-[dimethyl(phenyl)silyl]-2-(methoxycarbonylamino)hex-4-enoate (CID 10382333) is methyl (E,2S,3R)-3-[dimethyl(phenyl)silyl]-2-(methoxycarbonylamino)hex-4-enoate.
What is the SMILES notation for methyl (E,2S,3R)-3-[dimethyl(phenyl)silyl]-2-(methoxycarbonylamino)hex-4-enoate?
The canonical SMILES for methyl (E,2S,3R)-3-[dimethyl(phenyl)silyl]-2-(methoxycarbonylamino)hex-4-enoate is C/C=C/[C@H]([C@@H](NC(=O)OC)C(=O)OC)[Si](C)(C)c1ccccc1.
What is the InChIKey of methyl (E,2S,3R)-3-[dimethyl(phenyl)silyl]-2-(methoxycarbonylamino)hex-4-enoate?
The InChIKey is RIFDTBYFUBYRCC-ILJFBXALSA-N. The full InChI is InChI=1S/C17H25NO4Si/c1-6-10-14(15(16(19)21-2)18-17(20)22-3)23(4,5)13-11-8-7-9-12-13/h6-12,14-15H,1-5H3,(H,18,20)/b10-6+/t14-,15-/m1/s1.
What are the key properties of methyl (E,2S,3R)-3-[dimethyl(phenyl)silyl]-2-(methoxycarbonylamino)hex-4-enoate?
methyl (E,2S,3R)-3-[dimethyl(phenyl)silyl]-2-(methoxycarbonylamino)hex-4-enoate has a molecular weight of 335.48 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E,2S,3R)-3-[dimethyl(phenyl)silyl]-2-(methoxycarbonylamino)hex-4-enoate is sourced from PubChem (CID 10382333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).