[(1R,2R)-2-[(R)-[dimethyl(phenyl)silyl]-phenylmethyl]cyclopentyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate

C28H39NO3Si — CID 134999060

IUPAC[(1R,2R)-2-[(R)-[dimethyl(phenyl)silyl]-phenylmethyl]cyclopentyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
SMILESCC1(C)COC(C)(C)N1C(=O)O[C@@H]1CCC[C@H]1[C@H](c1ccccc1)[Si](C)(C)c1ccccc1
InChIInChI=1S/C28H39NO3Si/c1-27(2)20-31-28(3,4)29(27)26(30)32-24-19-13-18-23(24)25(21-14-9-7-10-15-21)33(5,6)22-16-11-8-12-17-22/h7-12,14-17,23-25H,13,18-20H2,1-6H3/t23-,24-,25+/m1/s1
InChIKeyMPGOFRMHOGCUIV-SDHSZQHLSA-N
MW465.71 g/mol
LogP6.08
Rot. Bonds5

About [(1R,2R)-2-[(R)-[dimethyl(phenyl)silyl]-phenylmethyl]cyclopentyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate

[(1R,2R)-2-[(R)-[dimethyl(phenyl)silyl]-phenylmethyl]cyclopentyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 134999060) has the molecular formula C28H39NO3Si and a molecular weight of 465.71 g/mol. Its IUPAC name is [(1R,2R)-2-[(R)-[dimethyl(phenyl)silyl]-phenylmethyl]cyclopentyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Name[(1R,2R)-2-[(R)-[dimethyl(phenyl)silyl]-phenylmethyl]cyclopentyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
PubChem CID134999060
Molecular FormulaC28H39NO3Si
Molecular Weight465.71 g/mol
Exact Mass465.27
IUPAC Name[(1R,2R)-2-[(R)-[dimethyl(phenyl)silyl]-phenylmethyl]cyclopentyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
SMILESCC1(C)COC(C)(C)N1C(=O)O[C@@H]1CCC[C@H]1[C@H](c1ccccc1)[Si](C)(C)c1ccccc1
InChIInChI=1S/C28H39NO3Si/c1-27(2)20-31-28(3,4)29(27)26(30)32-24-19-13-18-23(24)25(21-14-9-7-10-15-21)33(5,6)22-16-11-8-12-17-22/h7-12,14-17,23-25H,13,18-20H2,1-6H3/t23-,24-,25+/m1/s1
InChIKeyMPGOFRMHOGCUIV-SDHSZQHLSA-N
XLogP6.08
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.71
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-[(R)-[dimethyl(phenyl)silyl]-phenylmethyl]cyclopentyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of [(1R,2R)-2-[(R)-[dimethyl(phenyl)silyl]-phenylmethyl]cyclopentyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate (CID 134999060) is [(1R,2R)-2-[(R)-[dimethyl(phenyl)silyl]-phenylmethyl]cyclopentyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for [(1R,2R)-2-[(R)-[dimethyl(phenyl)silyl]-phenylmethyl]cyclopentyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for [(1R,2R)-2-[(R)-[dimethyl(phenyl)silyl]-phenylmethyl]cyclopentyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate is CC1(C)COC(C)(C)N1C(=O)O[C@@H]1CCC[C@H]1[C@H](c1ccccc1)[Si](C)(C)c1ccccc1.
What is the InChIKey of [(1R,2R)-2-[(R)-[dimethyl(phenyl)silyl]-phenylmethyl]cyclopentyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is MPGOFRMHOGCUIV-SDHSZQHLSA-N. The full InChI is InChI=1S/C28H39NO3Si/c1-27(2)20-31-28(3,4)29(27)26(30)32-24-19-13-18-23(24)25(21-14-9-7-10-15-21)33(5,6)22-16-11-8-12-17-22/h7-12,14-17,23-25H,13,18-20H2,1-6H3/t23-,24-,25+/m1/s1.
What are the key properties of [(1R,2R)-2-[(R)-[dimethyl(phenyl)silyl]-phenylmethyl]cyclopentyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate?
[(1R,2R)-2-[(R)-[dimethyl(phenyl)silyl]-phenylmethyl]cyclopentyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 465.71 g/mol, XLogP of 6.08, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-[(R)-[dimethyl(phenyl)silyl]-phenylmethyl]cyclopentyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 134999060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).