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

C17H30ClNO4Si — CID 57110990

IUPACprop-2-enyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(1-chloro-3-hydroxyprop-1-enyl)pyrrolidine-1-carboxylate
SMILESC=CCOC(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1C(Cl)=CCO
InChIInChI=1S/C17H30ClNO4Si/c1-7-10-22-16(21)19-12-13(11-15(19)14(18)8-9-20)23-24(5,6)17(2,3)4/h7-8,13,15,20H,1,9-12H2,2-6H3/t13-,15+/m1/s1
InChIKeyWLJNAMHMDGQZLT-HIFRSBDPSA-N
MW375.97 g/mol
LogP3.89
Rot. Bonds6

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

prop-2-enyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(1-chloro-3-hydroxyprop-1-enyl)pyrrolidine-1-carboxylate (PubChem CID 57110990) has the molecular formula C17H30ClNO4Si and a molecular weight of 375.97 g/mol. Its IUPAC name is prop-2-enyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(1-chloro-3-hydroxyprop-1-enyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(1-chloro-3-hydroxyprop-1-enyl)pyrrolidine-1-carboxylate
PubChem CID57110990
Molecular FormulaC17H30ClNO4Si
Molecular Weight375.97 g/mol
Exact Mass375.16
IUPAC Nameprop-2-enyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(1-chloro-3-hydroxyprop-1-enyl)pyrrolidine-1-carboxylate
SMILESC=CCOC(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1C(Cl)=CCO
InChIInChI=1S/C17H30ClNO4Si/c1-7-10-22-16(21)19-12-13(11-15(19)14(18)8-9-20)23-24(5,6)17(2,3)4/h7-8,13,15,20H,1,9-12H2,2-6H3/t13-,15+/m1/s1
InChIKeyWLJNAMHMDGQZLT-HIFRSBDPSA-N
XLogP3.89
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.97
LogP ≤ 53.89
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-(1-chloro-3-hydroxyprop-1-enyl)pyrrolidine-1-carboxylate?
The IUPAC name of prop-2-enyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(1-chloro-3-hydroxyprop-1-enyl)pyrrolidine-1-carboxylate (CID 57110990) is prop-2-enyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(1-chloro-3-hydroxyprop-1-enyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for prop-2-enyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(1-chloro-3-hydroxyprop-1-enyl)pyrrolidine-1-carboxylate?
The canonical SMILES for prop-2-enyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(1-chloro-3-hydroxyprop-1-enyl)pyrrolidine-1-carboxylate is C=CCOC(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1C(Cl)=CCO.
What is the InChIKey of prop-2-enyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(1-chloro-3-hydroxyprop-1-enyl)pyrrolidine-1-carboxylate?
The InChIKey is WLJNAMHMDGQZLT-HIFRSBDPSA-N. The full InChI is InChI=1S/C17H30ClNO4Si/c1-7-10-22-16(21)19-12-13(11-15(19)14(18)8-9-20)23-24(5,6)17(2,3)4/h7-8,13,15,20H,1,9-12H2,2-6H3/t13-,15+/m1/s1.
What are the key properties of prop-2-enyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(1-chloro-3-hydroxyprop-1-enyl)pyrrolidine-1-carboxylate?
prop-2-enyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(1-chloro-3-hydroxyprop-1-enyl)pyrrolidine-1-carboxylate has a molecular weight of 375.97 g/mol, XLogP of 3.89, 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-(1-chloro-3-hydroxyprop-1-enyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 57110990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).