trans-methyl (1R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]cyclopropane-1-carboxylate

C25H51NO6Si2 — CID 57062161

About trans-methyl (1R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]cyclopropane-1-carboxylate

trans-methyl (1R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]cyclopropane-1-carboxylate (PubChem CID 57062161) has the molecular formula C25H51NO6Si2 and a molecular weight of 517.86 g/mol. Its IUPAC name is trans-methyl (1R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]cyclopropane-1-carboxylate.

Molecular Properties

• Compound Name: trans-methyl (1R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]cyclopropane-1-carboxylate
• PubChem CID: 57062161
• Molecular Formula: C25H51NO6Si2
• Molecular Weight: 517.86 g/mol
• Exact Mass: 517.33
• IUPAC Name: trans-methyl (1R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]cyclopropane-1-carboxylate
• SMILES: COC(=O)[C@H]1C(CO[Si](C)(C)C(C)(C)C)[C@@H]1[C@@H](CO[Si](C)(C)C(C)(C)C)NC(=O)OC(C)(C)C
• InChI: InChI=1S/C25H51NO6Si2/c1-23(2,3)32-22(28)26-18(16-31-34(13,14)25(7,8)9)19-17(20(19)21(27)29-10)15-30-33(11,12)24(4,5)6/h17-20H,15-16H2,1-14H3,(H,26,28)/t17?,18-,19-,20+/m1/s1
• InChIKey: HRIDDXQNBAYNCF-YGFFAISXSA-N
• XLogP: 5.96
• TPSA: 83.09 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	517.86
LogP ≤ 5	5.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of trans-methyl (1R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]cyclopropane-1-carboxylate?

The IUPAC name of trans-methyl (1R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]cyclopropane-1-carboxylate (CID 57062161) is trans-methyl (1R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]cyclopropane-1-carboxylate.

What is the SMILES notation for trans-methyl (1R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]cyclopropane-1-carboxylate?

The canonical SMILES for trans-methyl (1R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]cyclopropane-1-carboxylate is COC(=O)[C@H]1C(CO[Si](C)(C)C(C)(C)C)[C@@H]1[C@@H](CO[Si](C)(C)C(C)(C)C)NC(=O)OC(C)(C)C.

What is the InChIKey of trans-methyl (1R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]cyclopropane-1-carboxylate?

The InChIKey is HRIDDXQNBAYNCF-YGFFAISXSA-N. The full InChI is InChI=1S/C25H51NO6Si2/c1-23(2,3)32-22(28)26-18(16-31-34(13,14)25(7,8)9)19-17(20(19)21(27)29-10)15-30-33(11,12)24(4,5)6/h17-20H,15-16H2,1-14H3,(H,26,28)/t17?,18-,19-,20+/m1/s1.

What are the key properties of trans-methyl (1R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]cyclopropane-1-carboxylate?

trans-methyl (1R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]cyclopropane-1-carboxylate has a molecular weight of 517.86 g/mol, XLogP of 5.96, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for trans-methyl (1R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 57062161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).