ditert-butyl (2R,4R,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-formylpyrrolidine-1,2-dicarboxylate

C22H41NO6Si — CID 11339731

IUPACditert-butyl (2R,4R,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-formylpyrrolidine-1,2-dicarboxylate
SMILESCC(C)(C)OC(=O)[C@H]1C[C@@H](CO[Si](C)(C)C(C)(C)C)[C@H](C=O)N1C(=O)OC(C)(C)C
InChIInChI=1S/C22H41NO6Si/c1-20(2,3)28-18(25)16-12-15(14-27-30(10,11)22(7,8)9)17(13-24)23(16)19(26)29-21(4,5)6/h13,15-17H,12,14H2,1-11H3/t15-,16+,17-/m0/s1
InChIKeyHOBPPNSLILNSMN-BBWFWOEESA-N
MW443.66 g/mol
LogP4.54
Rot. Bonds5

About ditert-butyl (2R,4R,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-formylpyrrolidine-1,2-dicarboxylate

ditert-butyl (2R,4R,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-formylpyrrolidine-1,2-dicarboxylate (PubChem CID 11339731) has the molecular formula C22H41NO6Si and a molecular weight of 443.66 g/mol. Its IUPAC name is ditert-butyl (2R,4R,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-formylpyrrolidine-1,2-dicarboxylate.

Molecular Properties

Compound Nameditert-butyl (2R,4R,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-formylpyrrolidine-1,2-dicarboxylate
PubChem CID11339731
Molecular FormulaC22H41NO6Si
Molecular Weight443.66 g/mol
Exact Mass443.27
IUPAC Nameditert-butyl (2R,4R,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-formylpyrrolidine-1,2-dicarboxylate
SMILESCC(C)(C)OC(=O)[C@H]1C[C@@H](CO[Si](C)(C)C(C)(C)C)[C@H](C=O)N1C(=O)OC(C)(C)C
InChIInChI=1S/C22H41NO6Si/c1-20(2,3)28-18(25)16-12-15(14-27-30(10,11)22(7,8)9)17(13-24)23(16)19(26)29-21(4,5)6/h13,15-17H,12,14H2,1-11H3/t15-,16+,17-/m0/s1
InChIKeyHOBPPNSLILNSMN-BBWFWOEESA-N
XLogP4.54
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.66
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ditert-butyl (2R,4R,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-formylpyrrolidine-1,2-dicarboxylate?
The IUPAC name of ditert-butyl (2R,4R,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-formylpyrrolidine-1,2-dicarboxylate (CID 11339731) is ditert-butyl (2R,4R,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-formylpyrrolidine-1,2-dicarboxylate.
What is the SMILES notation for ditert-butyl (2R,4R,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-formylpyrrolidine-1,2-dicarboxylate?
The canonical SMILES for ditert-butyl (2R,4R,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-formylpyrrolidine-1,2-dicarboxylate is CC(C)(C)OC(=O)[C@H]1C[C@@H](CO[Si](C)(C)C(C)(C)C)[C@H](C=O)N1C(=O)OC(C)(C)C.
What is the InChIKey of ditert-butyl (2R,4R,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-formylpyrrolidine-1,2-dicarboxylate?
The InChIKey is HOBPPNSLILNSMN-BBWFWOEESA-N. The full InChI is InChI=1S/C22H41NO6Si/c1-20(2,3)28-18(25)16-12-15(14-27-30(10,11)22(7,8)9)17(13-24)23(16)19(26)29-21(4,5)6/h13,15-17H,12,14H2,1-11H3/t15-,16+,17-/m0/s1.
What are the key properties of ditert-butyl (2R,4R,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-formylpyrrolidine-1,2-dicarboxylate?
ditert-butyl (2R,4R,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-formylpyrrolidine-1,2-dicarboxylate has a molecular weight of 443.66 g/mol, XLogP of 4.54, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl (2R,4R,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-formylpyrrolidine-1,2-dicarboxylate is sourced from PubChem (CID 11339731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).