(3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]-1-prop-2-enylpyrrolidin-2-one

C28H55NO4Si3 — CID 11261408

IUPAC(3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]-1-prop-2-enylpyrrolidin-2-one
SMILESC=CCN1C(=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1C#CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C28H55NO4Si3/c1-17-20-29-22(19-18-21-31-34(11,12)26(2,3)4)23(32-35(13,14)27(5,6)7)24(25(29)30)33-36(15,16)28(8,9)10/h17,22-24H,1,20-21H2,2-16H3/t22-,23-,24+/m1/s1
InChIKeyMEGSVCFSWDBBCX-SMIHKQSGSA-N
MW554.01 g/mol
LogP7.19
Rot. Bonds8

About (3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]-1-prop-2-enylpyrrolidin-2-one

(3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]-1-prop-2-enylpyrrolidin-2-one (PubChem CID 11261408) has the molecular formula C28H55NO4Si3 and a molecular weight of 554.01 g/mol. Its IUPAC name is (3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]-1-prop-2-enylpyrrolidin-2-one.

Molecular Properties

Compound Name(3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]-1-prop-2-enylpyrrolidin-2-one
PubChem CID11261408
Molecular FormulaC28H55NO4Si3
Molecular Weight554.01 g/mol
Exact Mass553.34
IUPAC Name(3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]-1-prop-2-enylpyrrolidin-2-one
SMILESC=CCN1C(=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1C#CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C28H55NO4Si3/c1-17-20-29-22(19-18-21-31-34(11,12)26(2,3)4)23(32-35(13,14)27(5,6)7)24(25(29)30)33-36(15,16)28(8,9)10/h17,22-24H,1,20-21H2,2-16H3/t22-,23-,24+/m1/s1
InChIKeyMEGSVCFSWDBBCX-SMIHKQSGSA-N
XLogP7.19
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.01
LogP ≤ 57.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]-1-prop-2-enylpyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-oxo-1-prop-2-enylpyrrolidine-2-carbonitrile
CID 24777602
5-[tert-butyl(dimethyl)silyl]oxy-6-methyl-1-prop-2-enylpiperidin-2-one
CID 75045772
(3R,4S,5S,6S)-1,3,4,5-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-2-one
CID 101409259
(3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-prop-2-enylpiperidine-2,6-dione
CID 46844725
methyl 2-[(2R,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-cyano-4-methoxy-5-oxopyrrolidin-1-yl]acetate
CID 134974886
(3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1-methylpyrrolidine-2,5-dione
CID 10981612
(3S,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-3-(1-hydroxyhept-6-enyl)-5-methyloxolan-2-one
CID 156755177
1-[(2S,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-5-prop-2-enylpyrimidine-2,4-dione
CID 67566728
4-[tert-butyl(dimethyl)silyl]oxy-2-[(2E)-1-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dien-2-yl]cyclohex-2-en-1-one
CID 11122706
1-[(2R,4S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-prop-2-enoxyoxolan-2-yl]pyrimidine-2,4-dione
CID 174121059
(3R,4S,5S)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-one
CID 11331126
[(2R,4R,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-enyloxan-3-yl]oxy-tert-butyl-dimethylsilane
CID 140547133

Frequently Asked Questions

What is the IUPAC name of (3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]-1-prop-2-enylpyrrolidin-2-one?
The IUPAC name of (3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]-1-prop-2-enylpyrrolidin-2-one (CID 11261408) is (3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]-1-prop-2-enylpyrrolidin-2-one.
What is the SMILES notation for (3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]-1-prop-2-enylpyrrolidin-2-one?
The canonical SMILES for (3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]-1-prop-2-enylpyrrolidin-2-one is C=CCN1C(=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1C#CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]-1-prop-2-enylpyrrolidin-2-one?
The InChIKey is MEGSVCFSWDBBCX-SMIHKQSGSA-N. The full InChI is InChI=1S/C28H55NO4Si3/c1-17-20-29-22(19-18-21-31-34(11,12)26(2,3)4)23(32-35(13,14)27(5,6)7)24(25(29)30)33-36(15,16)28(8,9)10/h17,22-24H,1,20-21H2,2-16H3/t22-,23-,24+/m1/s1.
What are the key properties of (3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]-1-prop-2-enylpyrrolidin-2-one?
(3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]-1-prop-2-enylpyrrolidin-2-one has a molecular weight of 554.01 g/mol, XLogP of 7.19, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]-1-prop-2-enylpyrrolidin-2-one is sourced from PubChem (CID 11261408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).