methyl (2R,3R)-4-[dimethyl(phenyl)silyl]-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-propan-2-ylpent-4-enoate

About methyl (2R,3R)-4-[dimethyl(phenyl)silyl]-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-propan-2-ylpent-4-enoate

methyl (2R,3R)-4-[dimethyl(phenyl)silyl]-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-propan-2-ylpent-4-enoate (PubChem CID 10982674) has the molecular formula C23H37NO4Si and a molecular weight of 419.64 g/mol. Its IUPAC name is methyl (2R,3R)-4-[dimethyl(phenyl)silyl]-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-propan-2-ylpent-4-enoate.

Molecular Properties

Compound Name	methyl (2R,3R)-4-[dimethyl(phenyl)silyl]-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-propan-2-ylpent-4-enoate
PubChem CID	10982674
Molecular Formula	C23H37NO4Si
Molecular Weight	419.64 g/mol
Exact Mass	419.25
IUPAC Name	methyl (2R,3R)-4-[dimethyl(phenyl)silyl]-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-propan-2-ylpent-4-enoate
SMILES	C=C([C@H](C)[C@@](NC(=O)OC(C)(C)C)(C(=O)OC)C(C)C)[Si](C)(C)c1ccccc1
InChI	InChI=1S/C23H37NO4Si/c1-16(2)23(20(25)27-8,24-21(26)28-22(5,6)7)17(3)18(4)29(9,10)19-14-12-11-13-15-19/h11-17H,4H2,1-3,5-10H3,(H,24,26)/t17-,23+/m0/s1
InChIKey	MMHIHMVMRIXKBU-GAJHUEQPSA-N
XLogP	4.43
TPSA	64.63 Å²
H-Bond Donors	1
H-Bond Acceptors	4
Rotatable Bonds	7
Heavy Atoms	29
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	419.64
LogP ≤ 5	4.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of methyl (2R,3R)-4-[dimethyl(phenyl)silyl]-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-propan-2-ylpent-4-enoate?

The IUPAC name of methyl (2R,3R)-4-[dimethyl(phenyl)silyl]-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-propan-2-ylpent-4-enoate (CID 10982674) is methyl (2R,3R)-4-[dimethyl(phenyl)silyl]-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-propan-2-ylpent-4-enoate.

What is the SMILES notation for methyl (2R,3R)-4-[dimethyl(phenyl)silyl]-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-propan-2-ylpent-4-enoate?

The canonical SMILES for methyl (2R,3R)-4-[dimethyl(phenyl)silyl]-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-propan-2-ylpent-4-enoate is C=C([C@H](C)[C@@](NC(=O)OC(C)(C)C)(C(=O)OC)C(C)C)[Si](C)(C)c1ccccc1.

What is the InChIKey of methyl (2R,3R)-4-[dimethyl(phenyl)silyl]-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-propan-2-ylpent-4-enoate?

The InChIKey is MMHIHMVMRIXKBU-GAJHUEQPSA-N. The full InChI is InChI=1S/C23H37NO4Si/c1-16(2)23(20(25)27-8,24-21(26)28-22(5,6)7)17(3)18(4)29(9,10)19-14-12-11-13-15-19/h11-17H,4H2,1-3,5-10H3,(H,24,26)/t17-,23+/m0/s1.

What are the key properties of methyl (2R,3R)-4-[dimethyl(phenyl)silyl]-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-propan-2-ylpent-4-enoate?

methyl (2R,3R)-4-[dimethyl(phenyl)silyl]-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-propan-2-ylpent-4-enoate has a molecular weight of 419.64 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for methyl (2R,3R)-4-[dimethyl(phenyl)silyl]-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-propan-2-ylpent-4-enoate is sourced from PubChem (CID 10982674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).