methyl (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 18654190

IUPACmethyl (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
SMILESCOC(=O)C1C(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
InChIInChI=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
InChIKeyHRIDDXQNBAYNCF-WBFXSEPVSA-N
MW517.86 g/mol
LogP5.96
Rot. Bonds9

About methyl (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

methyl (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 18654190) has the molecular formula C25H51NO6Si2 and a molecular weight of 517.86 g/mol. Its IUPAC name is methyl (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 Namemethyl (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 CID18654190
Molecular FormulaC25H51NO6Si2
Molecular Weight517.86 g/mol
Exact Mass517.33
IUPAC Namemethyl (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
SMILESCOC(=O)C1C(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
InChIInChI=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
InChIKeyHRIDDXQNBAYNCF-WBFXSEPVSA-N
XLogP5.96
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.86
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methyl (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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl (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 methyl (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 18654190) is methyl (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 methyl (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 methyl (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)C1C(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 methyl (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-WBFXSEPVSA-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 methyl (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?
methyl (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 methyl (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 18654190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).