prop-2-enyl 4-[tert-butyl(dimethyl)silyl]oxy-2-[(2R)-2-hydroxypropyl]pyrrolidine-1-carboxylate

C17H33NO4Si — CID 67752118

IUPACprop-2-enyl 4-[tert-butyl(dimethyl)silyl]oxy-2-[(2R)-2-hydroxypropyl]pyrrolidine-1-carboxylate
SMILESC=CCOC(=O)N1CC(O[Si](C)(C)C(C)(C)C)CC1C[C@@H](C)O
InChIInChI=1S/C17H33NO4Si/c1-8-9-21-16(20)18-12-15(11-14(18)10-13(2)19)22-23(6,7)17(3,4)5/h8,13-15,19H,1,9-12H2,2-7H3/t13-,14?,15?/m1/s1
InChIKeyKSTVQPHCAKXYSK-WLYUNCDWSA-N
MW343.54 g/mol
LogP3.54
Rot. Bonds6

About prop-2-enyl 4-[tert-butyl(dimethyl)silyl]oxy-2-[(2R)-2-hydroxypropyl]pyrrolidine-1-carboxylate

prop-2-enyl 4-[tert-butyl(dimethyl)silyl]oxy-2-[(2R)-2-hydroxypropyl]pyrrolidine-1-carboxylate (PubChem CID 67752118) has the molecular formula C17H33NO4Si and a molecular weight of 343.54 g/mol. Its IUPAC name is prop-2-enyl 4-[tert-butyl(dimethyl)silyl]oxy-2-[(2R)-2-hydroxypropyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 4-[tert-butyl(dimethyl)silyl]oxy-2-[(2R)-2-hydroxypropyl]pyrrolidine-1-carboxylate
PubChem CID67752118
Molecular FormulaC17H33NO4Si
Molecular Weight343.54 g/mol
Exact Mass343.22
IUPAC Nameprop-2-enyl 4-[tert-butyl(dimethyl)silyl]oxy-2-[(2R)-2-hydroxypropyl]pyrrolidine-1-carboxylate
SMILESC=CCOC(=O)N1CC(O[Si](C)(C)C(C)(C)C)CC1C[C@@H](C)O
InChIInChI=1S/C17H33NO4Si/c1-8-9-21-16(20)18-12-15(11-14(18)10-13(2)19)22-23(6,7)17(3,4)5/h8,13-15,19H,1,9-12H2,2-7H3/t13-,14?,15?/m1/s1
InChIKeyKSTVQPHCAKXYSK-WLYUNCDWSA-N
XLogP3.54
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.54
LogP ≤ 53.54
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 4-[tert-butyl(dimethyl)silyl]oxy-2-[(2R)-2-hydroxypropyl]pyrrolidine-1-carboxylate?
The IUPAC name of prop-2-enyl 4-[tert-butyl(dimethyl)silyl]oxy-2-[(2R)-2-hydroxypropyl]pyrrolidine-1-carboxylate (CID 67752118) is prop-2-enyl 4-[tert-butyl(dimethyl)silyl]oxy-2-[(2R)-2-hydroxypropyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for prop-2-enyl 4-[tert-butyl(dimethyl)silyl]oxy-2-[(2R)-2-hydroxypropyl]pyrrolidine-1-carboxylate?
The canonical SMILES for prop-2-enyl 4-[tert-butyl(dimethyl)silyl]oxy-2-[(2R)-2-hydroxypropyl]pyrrolidine-1-carboxylate is C=CCOC(=O)N1CC(O[Si](C)(C)C(C)(C)C)CC1C[C@@H](C)O.
What is the InChIKey of prop-2-enyl 4-[tert-butyl(dimethyl)silyl]oxy-2-[(2R)-2-hydroxypropyl]pyrrolidine-1-carboxylate?
The InChIKey is KSTVQPHCAKXYSK-WLYUNCDWSA-N. The full InChI is InChI=1S/C17H33NO4Si/c1-8-9-21-16(20)18-12-15(11-14(18)10-13(2)19)22-23(6,7)17(3,4)5/h8,13-15,19H,1,9-12H2,2-7H3/t13-,14?,15?/m1/s1.
What are the key properties of prop-2-enyl 4-[tert-butyl(dimethyl)silyl]oxy-2-[(2R)-2-hydroxypropyl]pyrrolidine-1-carboxylate?
prop-2-enyl 4-[tert-butyl(dimethyl)silyl]oxy-2-[(2R)-2-hydroxypropyl]pyrrolidine-1-carboxylate has a molecular weight of 343.54 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 4-[tert-butyl(dimethyl)silyl]oxy-2-[(2R)-2-hydroxypropyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 67752118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).