prop-2-enyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-hydroxy-2-methylprop-1-enyl)pyrrolidine-1-carboxylate

C18H33NO4Si — CID 56993148

IUPACprop-2-enyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-hydroxy-2-methylprop-1-enyl)pyrrolidine-1-carboxylate
SMILESC=CCOC(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1C=C(C)CO
InChIInChI=1S/C18H33NO4Si/c1-8-9-22-17(21)19-12-16(11-15(19)10-14(2)13-20)23-24(6,7)18(3,4)5/h8,10,15-16,20H,1,9,11-13H2,2-7H3/t15-,16-/m1/s1
InChIKeyPNPWQKZELVAJRT-HZPDHXFCSA-N
MW355.55 g/mol
LogP3.71
Rot. Bonds6

About prop-2-enyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-hydroxy-2-methylprop-1-enyl)pyrrolidine-1-carboxylate

prop-2-enyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-hydroxy-2-methylprop-1-enyl)pyrrolidine-1-carboxylate (PubChem CID 56993148) has the molecular formula C18H33NO4Si and a molecular weight of 355.55 g/mol. Its IUPAC name is prop-2-enyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-hydroxy-2-methylprop-1-enyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-hydroxy-2-methylprop-1-enyl)pyrrolidine-1-carboxylate
PubChem CID56993148
Molecular FormulaC18H33NO4Si
Molecular Weight355.55 g/mol
Exact Mass355.22
IUPAC Nameprop-2-enyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-hydroxy-2-methylprop-1-enyl)pyrrolidine-1-carboxylate
SMILESC=CCOC(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1C=C(C)CO
InChIInChI=1S/C18H33NO4Si/c1-8-9-22-17(21)19-12-16(11-15(19)10-14(2)13-20)23-24(6,7)18(3,4)5/h8,10,15-16,20H,1,9,11-13H2,2-7H3/t15-,16-/m1/s1
InChIKeyPNPWQKZELVAJRT-HZPDHXFCSA-N
XLogP3.71
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.55
LogP ≤ 53.71
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 prop-2-enyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-hydroxy-2-methylprop-1-enyl)pyrrolidine-1-carboxylate?
The IUPAC name of prop-2-enyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-hydroxy-2-methylprop-1-enyl)pyrrolidine-1-carboxylate (CID 56993148) is prop-2-enyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-hydroxy-2-methylprop-1-enyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for prop-2-enyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-hydroxy-2-methylprop-1-enyl)pyrrolidine-1-carboxylate?
The canonical SMILES for prop-2-enyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-hydroxy-2-methylprop-1-enyl)pyrrolidine-1-carboxylate is C=CCOC(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1C=C(C)CO.
What is the InChIKey of prop-2-enyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-hydroxy-2-methylprop-1-enyl)pyrrolidine-1-carboxylate?
The InChIKey is PNPWQKZELVAJRT-HZPDHXFCSA-N. The full InChI is InChI=1S/C18H33NO4Si/c1-8-9-22-17(21)19-12-16(11-15(19)10-14(2)13-20)23-24(6,7)18(3,4)5/h8,10,15-16,20H,1,9,11-13H2,2-7H3/t15-,16-/m1/s1.
What are the key properties of prop-2-enyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-hydroxy-2-methylprop-1-enyl)pyrrolidine-1-carboxylate?
prop-2-enyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-hydroxy-2-methylprop-1-enyl)pyrrolidine-1-carboxylate has a molecular weight of 355.55 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-hydroxy-2-methylprop-1-enyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 56993148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).