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

C30H43NO3Si — CID 134999066

IUPAC[(1R,2R)-2-[(R)-[dimethyl(phenyl)silyl]-phenylmethyl]-4,4-dimethylcyclopentyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
SMILESCC1(C)C[C@@H]([C@H](c2ccccc2)[Si](C)(C)c2ccccc2)[C@H](OC(=O)N2C(C)(C)COC2(C)C)C1
InChIInChI=1S/C30H43NO3Si/c1-28(2)19-24(25(20-28)34-27(32)31-29(3,4)21-33-30(31,5)6)26(22-15-11-9-12-16-22)35(7,8)23-17-13-10-14-18-23/h9-18,24-26H,19-21H2,1-8H3/t24-,25-,26+/m1/s1
InChIKeyVSINOEACFLIHRT-CYXNTTPDSA-N
MW493.76 g/mol
LogP6.71
Rot. Bonds5

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

[(1R,2R)-2-[(R)-[dimethyl(phenyl)silyl]-phenylmethyl]-4,4-dimethylcyclopentyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 134999066) has the molecular formula C30H43NO3Si and a molecular weight of 493.76 g/mol. Its IUPAC name is [(1R,2R)-2-[(R)-[dimethyl(phenyl)silyl]-phenylmethyl]-4,4-dimethylcyclopentyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Name[(1R,2R)-2-[(R)-[dimethyl(phenyl)silyl]-phenylmethyl]-4,4-dimethylcyclopentyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
PubChem CID134999066
Molecular FormulaC30H43NO3Si
Molecular Weight493.76 g/mol
Exact Mass493.30
IUPAC Name[(1R,2R)-2-[(R)-[dimethyl(phenyl)silyl]-phenylmethyl]-4,4-dimethylcyclopentyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
SMILESCC1(C)C[C@@H]([C@H](c2ccccc2)[Si](C)(C)c2ccccc2)[C@H](OC(=O)N2C(C)(C)COC2(C)C)C1
InChIInChI=1S/C30H43NO3Si/c1-28(2)19-24(25(20-28)34-27(32)31-29(3,4)21-33-30(31,5)6)26(22-15-11-9-12-16-22)35(7,8)23-17-13-10-14-18-23/h9-18,24-26H,19-21H2,1-8H3/t24-,25-,26+/m1/s1
InChIKeyVSINOEACFLIHRT-CYXNTTPDSA-N
XLogP6.71
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.76
LogP ≤ 56.71
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]-4,4-dimethylcyclopentyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of [(1R,2R)-2-[(R)-[dimethyl(phenyl)silyl]-phenylmethyl]-4,4-dimethylcyclopentyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate (CID 134999066) is [(1R,2R)-2-[(R)-[dimethyl(phenyl)silyl]-phenylmethyl]-4,4-dimethylcyclopentyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for [(1R,2R)-2-[(R)-[dimethyl(phenyl)silyl]-phenylmethyl]-4,4-dimethylcyclopentyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for [(1R,2R)-2-[(R)-[dimethyl(phenyl)silyl]-phenylmethyl]-4,4-dimethylcyclopentyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate is CC1(C)C[C@@H]([C@H](c2ccccc2)[Si](C)(C)c2ccccc2)[C@H](OC(=O)N2C(C)(C)COC2(C)C)C1.
What is the InChIKey of [(1R,2R)-2-[(R)-[dimethyl(phenyl)silyl]-phenylmethyl]-4,4-dimethylcyclopentyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is VSINOEACFLIHRT-CYXNTTPDSA-N. The full InChI is InChI=1S/C30H43NO3Si/c1-28(2)19-24(25(20-28)34-27(32)31-29(3,4)21-33-30(31,5)6)26(22-15-11-9-12-16-22)35(7,8)23-17-13-10-14-18-23/h9-18,24-26H,19-21H2,1-8H3/t24-,25-,26+/m1/s1.
What are the key properties of [(1R,2R)-2-[(R)-[dimethyl(phenyl)silyl]-phenylmethyl]-4,4-dimethylcyclopentyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate?
[(1R,2R)-2-[(R)-[dimethyl(phenyl)silyl]-phenylmethyl]-4,4-dimethylcyclopentyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 493.76 g/mol, XLogP of 6.71, 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]-4,4-dimethylcyclopentyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 134999066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).