methyl (1R,2R,3R,4S)-2-[dimethyl(phenyl)silyl]-4-ethenyl-3-[(4-methylphenyl)sulfonylmethyl]cyclopentane-1-carboxylate;methyl (1S,2S,3S,4R)-2-[dimethyl(phenyl)silyl]-4-ethenyl-3-[(4-methylphenyl)sulfonylmethyl]cyclopentane-1-carboxylate

C50H64O8S2Si2 — CID 139089494

IUPACmethyl (1R,2R,3R,4S)-2-[dimethyl(phenyl)silyl]-4-ethenyl-3-[(4-methylphenyl)sulfonylmethyl]cyclopentane-1-carboxylate;methyl (1S,2S,3S,4R)-2-[dimethyl(phenyl)silyl]-4-ethenyl-3-[(4-methylphenyl)sulfonylmethyl]cyclopentane-1-carboxylate
SMILESC=C[C@@H]1C[C@H](C(=O)OC)[C@@H]([Si](C)(C)c2ccccc2)[C@@H]1CS(=O)(=O)c1ccc(C)cc1.C=C[C@H]1C[C@@H](C(=O)OC)[C@H]([Si](C)(C)c2ccccc2)[C@H]1CS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/2C25H32O4SSi/c2*1-6-19-16-22(25(26)29-3)24(31(4,5)21-10-8-7-9-11-21)23(19)17-30(27,28)20-14-12-18(2)13-15-20/h2*6-15,19,22-24H,1,16-17H2,2-5H3/t2*19-,22+,23-,24-/m10/s1
InChIKeyDNIIUEQUIUNKCN-AFUKGUOHSA-N
MW913.36 g/mol
LogP8.73
Rot. Bonds14

About methyl (1R,2R,3R,4S)-2-[dimethyl(phenyl)silyl]-4-ethenyl-3-[(4-methylphenyl)sulfonylmethyl]cyclopentane-1-carboxylate;methyl (1S,2S,3S,4R)-2-[dimethyl(phenyl)silyl]-4-ethenyl-3-[(4-methylphenyl)sulfonylmethyl]cyclopentane-1-carboxylate

methyl (1R,2R,3R,4S)-2-[dimethyl(phenyl)silyl]-4-ethenyl-3-[(4-methylphenyl)sulfonylmethyl]cyclopentane-1-carboxylate;methyl (1S,2S,3S,4R)-2-[dimethyl(phenyl)silyl]-4-ethenyl-3-[(4-methylphenyl)sulfonylmethyl]cyclopentane-1-carboxylate (PubChem CID 139089494) has the molecular formula C50H64O8S2Si2 and a molecular weight of 913.36 g/mol. Its IUPAC name is methyl (1R,2R,3R,4S)-2-[dimethyl(phenyl)silyl]-4-ethenyl-3-[(4-methylphenyl)sulfonylmethyl]cyclopentane-1-carboxylate;methyl (1S,2S,3S,4R)-2-[dimethyl(phenyl)silyl]-4-ethenyl-3-[(4-methylphenyl)sulfonylmethyl]cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl (1R,2R,3R,4S)-2-[dimethyl(phenyl)silyl]-4-ethenyl-3-[(4-methylphenyl)sulfonylmethyl]cyclopentane-1-carboxylate;methyl (1S,2S,3S,4R)-2-[dimethyl(phenyl)silyl]-4-ethenyl-3-[(4-methylphenyl)sulfonylmethyl]cyclopentane-1-carboxylate
PubChem CID139089494
Molecular FormulaC50H64O8S2Si2
Molecular Weight913.36 g/mol
Exact Mass912.36
IUPAC Namemethyl (1R,2R,3R,4S)-2-[dimethyl(phenyl)silyl]-4-ethenyl-3-[(4-methylphenyl)sulfonylmethyl]cyclopentane-1-carboxylate;methyl (1S,2S,3S,4R)-2-[dimethyl(phenyl)silyl]-4-ethenyl-3-[(4-methylphenyl)sulfonylmethyl]cyclopentane-1-carboxylate
SMILESC=C[C@@H]1C[C@H](C(=O)OC)[C@@H]([Si](C)(C)c2ccccc2)[C@@H]1CS(=O)(=O)c1ccc(C)cc1.C=C[C@H]1C[C@@H](C(=O)OC)[C@H]([Si](C)(C)c2ccccc2)[C@H]1CS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/2C25H32O4SSi/c2*1-6-19-16-22(25(26)29-3)24(31(4,5)21-10-8-7-9-11-21)23(19)17-30(27,28)20-14-12-18(2)13-15-20/h2*6-15,19,22-24H,1,16-17H2,2-5H3/t2*19-,22+,23-,24-/m10/s1
InChIKeyDNIIUEQUIUNKCN-AFUKGUOHSA-N
XLogP8.73
TPSA120.88 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500913.36
LogP ≤ 58.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze methyl (1R,2R,3R,4S)-2-[dimethyl(phenyl)silyl]-4-ethenyl-3-[(4-methylphenyl)sulfonylmethyl]cyclopentane-1-carboxylate;methyl (1S,2S,3S,4R)-2-[dimethyl(phenyl)silyl]-4-ethenyl-3-[(4-methylphenyl)sulfonylmethyl]cyclopentane-1-carboxylate with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of methyl (1R,2R,3R,4S)-2-[dimethyl(phenyl)silyl]-4-ethenyl-3-[(4-methylphenyl)sulfonylmethyl]cyclopentane-1-carboxylate;methyl (1S,2S,3S,4R)-2-[dimethyl(phenyl)silyl]-4-ethenyl-3-[(4-methylphenyl)sulfonylmethyl]cyclopentane-1-carboxylate?
The IUPAC name of methyl (1R,2R,3R,4S)-2-[dimethyl(phenyl)silyl]-4-ethenyl-3-[(4-methylphenyl)sulfonylmethyl]cyclopentane-1-carboxylate;methyl (1S,2S,3S,4R)-2-[dimethyl(phenyl)silyl]-4-ethenyl-3-[(4-methylphenyl)sulfonylmethyl]cyclopentane-1-carboxylate (CID 139089494) is methyl (1R,2R,3R,4S)-2-[dimethyl(phenyl)silyl]-4-ethenyl-3-[(4-methylphenyl)sulfonylmethyl]cyclopentane-1-carboxylate;methyl (1S,2S,3S,4R)-2-[dimethyl(phenyl)silyl]-4-ethenyl-3-[(4-methylphenyl)sulfonylmethyl]cyclopentane-1-carboxylate.
What is the SMILES notation for methyl (1R,2R,3R,4S)-2-[dimethyl(phenyl)silyl]-4-ethenyl-3-[(4-methylphenyl)sulfonylmethyl]cyclopentane-1-carboxylate;methyl (1S,2S,3S,4R)-2-[dimethyl(phenyl)silyl]-4-ethenyl-3-[(4-methylphenyl)sulfonylmethyl]cyclopentane-1-carboxylate?
The canonical SMILES for methyl (1R,2R,3R,4S)-2-[dimethyl(phenyl)silyl]-4-ethenyl-3-[(4-methylphenyl)sulfonylmethyl]cyclopentane-1-carboxylate;methyl (1S,2S,3S,4R)-2-[dimethyl(phenyl)silyl]-4-ethenyl-3-[(4-methylphenyl)sulfonylmethyl]cyclopentane-1-carboxylate is C=C[C@@H]1C[C@H](C(=O)OC)[C@@H]([Si](C)(C)c2ccccc2)[C@@H]1CS(=O)(=O)c1ccc(C)cc1.C=C[C@H]1C[C@@H](C(=O)OC)[C@H]([Si](C)(C)c2ccccc2)[C@H]1CS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of methyl (1R,2R,3R,4S)-2-[dimethyl(phenyl)silyl]-4-ethenyl-3-[(4-methylphenyl)sulfonylmethyl]cyclopentane-1-carboxylate;methyl (1S,2S,3S,4R)-2-[dimethyl(phenyl)silyl]-4-ethenyl-3-[(4-methylphenyl)sulfonylmethyl]cyclopentane-1-carboxylate?
The InChIKey is DNIIUEQUIUNKCN-AFUKGUOHSA-N. The full InChI is InChI=1S/2C25H32O4SSi/c2*1-6-19-16-22(25(26)29-3)24(31(4,5)21-10-8-7-9-11-21)23(19)17-30(27,28)20-14-12-18(2)13-15-20/h2*6-15,19,22-24H,1,16-17H2,2-5H3/t2*19-,22+,23-,24-/m10/s1.
What are the key properties of methyl (1R,2R,3R,4S)-2-[dimethyl(phenyl)silyl]-4-ethenyl-3-[(4-methylphenyl)sulfonylmethyl]cyclopentane-1-carboxylate;methyl (1S,2S,3S,4R)-2-[dimethyl(phenyl)silyl]-4-ethenyl-3-[(4-methylphenyl)sulfonylmethyl]cyclopentane-1-carboxylate?
methyl (1R,2R,3R,4S)-2-[dimethyl(phenyl)silyl]-4-ethenyl-3-[(4-methylphenyl)sulfonylmethyl]cyclopentane-1-carboxylate;methyl (1S,2S,3S,4R)-2-[dimethyl(phenyl)silyl]-4-ethenyl-3-[(4-methylphenyl)sulfonylmethyl]cyclopentane-1-carboxylate has a molecular weight of 913.36 g/mol, XLogP of 8.73, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1R,2R,3R,4S)-2-[dimethyl(phenyl)silyl]-4-ethenyl-3-[(4-methylphenyl)sulfonylmethyl]cyclopentane-1-carboxylate;methyl (1S,2S,3S,4R)-2-[dimethyl(phenyl)silyl]-4-ethenyl-3-[(4-methylphenyl)sulfonylmethyl]cyclopentane-1-carboxylate is sourced from PubChem (CID 139089494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).