[(1S,2S,3S,4R)-2-[dimethyl(phenyl)silyl]-4-ethenyl-3-[(4-methylphenyl)sulfonylmethyl]cyclopentyl]methanol

C24H32O3SSi — CID 11690488

IUPAC[(1S,2S,3S,4R)-2-[dimethyl(phenyl)silyl]-4-ethenyl-3-[(4-methylphenyl)sulfonylmethyl]cyclopentyl]methanol
SMILESC=C[C@H]1C[C@@H](CO)[C@H]([Si](C)(C)c2ccccc2)[C@H]1CS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C24H32O3SSi/c1-5-19-15-20(16-25)24(29(3,4)22-9-7-6-8-10-22)23(19)17-28(26,27)21-13-11-18(2)12-14-21/h5-14,19-20,23-25H,1,15-17H2,2-4H3/t19-,20-,23-,24-/m0/s1
InChIKeyAIBKYRGOUUDQDQ-TZYAJKAJSA-N
MW428.67 g/mol
LogP4.19
Rot. Bonds7

About [(1S,2S,3S,4R)-2-[dimethyl(phenyl)silyl]-4-ethenyl-3-[(4-methylphenyl)sulfonylmethyl]cyclopentyl]methanol

[(1S,2S,3S,4R)-2-[dimethyl(phenyl)silyl]-4-ethenyl-3-[(4-methylphenyl)sulfonylmethyl]cyclopentyl]methanol (PubChem CID 11690488) has the molecular formula C24H32O3SSi and a molecular weight of 428.67 g/mol. Its IUPAC name is [(1S,2S,3S,4R)-2-[dimethyl(phenyl)silyl]-4-ethenyl-3-[(4-methylphenyl)sulfonylmethyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[(1S,2S,3S,4R)-2-[dimethyl(phenyl)silyl]-4-ethenyl-3-[(4-methylphenyl)sulfonylmethyl]cyclopentyl]methanol
PubChem CID11690488
Molecular FormulaC24H32O3SSi
Molecular Weight428.67 g/mol
Exact Mass428.18
IUPAC Name[(1S,2S,3S,4R)-2-[dimethyl(phenyl)silyl]-4-ethenyl-3-[(4-methylphenyl)sulfonylmethyl]cyclopentyl]methanol
SMILESC=C[C@H]1C[C@@H](CO)[C@H]([Si](C)(C)c2ccccc2)[C@H]1CS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C24H32O3SSi/c1-5-19-15-20(16-25)24(29(3,4)22-9-7-6-8-10-22)23(19)17-28(26,27)21-13-11-18(2)12-14-21/h5-14,19-20,23-25H,1,15-17H2,2-4H3/t19-,20-,23-,24-/m0/s1
InChIKeyAIBKYRGOUUDQDQ-TZYAJKAJSA-N
XLogP4.19
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.67
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 [(1S,2S,3S,4R)-2-[dimethyl(phenyl)silyl]-4-ethenyl-3-[(4-methylphenyl)sulfonylmethyl]cyclopentyl]methanol?
The IUPAC name of [(1S,2S,3S,4R)-2-[dimethyl(phenyl)silyl]-4-ethenyl-3-[(4-methylphenyl)sulfonylmethyl]cyclopentyl]methanol (CID 11690488) is [(1S,2S,3S,4R)-2-[dimethyl(phenyl)silyl]-4-ethenyl-3-[(4-methylphenyl)sulfonylmethyl]cyclopentyl]methanol.
What is the SMILES notation for [(1S,2S,3S,4R)-2-[dimethyl(phenyl)silyl]-4-ethenyl-3-[(4-methylphenyl)sulfonylmethyl]cyclopentyl]methanol?
The canonical SMILES for [(1S,2S,3S,4R)-2-[dimethyl(phenyl)silyl]-4-ethenyl-3-[(4-methylphenyl)sulfonylmethyl]cyclopentyl]methanol is C=C[C@H]1C[C@@H](CO)[C@H]([Si](C)(C)c2ccccc2)[C@H]1CS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of [(1S,2S,3S,4R)-2-[dimethyl(phenyl)silyl]-4-ethenyl-3-[(4-methylphenyl)sulfonylmethyl]cyclopentyl]methanol?
The InChIKey is AIBKYRGOUUDQDQ-TZYAJKAJSA-N. The full InChI is InChI=1S/C24H32O3SSi/c1-5-19-15-20(16-25)24(29(3,4)22-9-7-6-8-10-22)23(19)17-28(26,27)21-13-11-18(2)12-14-21/h5-14,19-20,23-25H,1,15-17H2,2-4H3/t19-,20-,23-,24-/m0/s1.
What are the key properties of [(1S,2S,3S,4R)-2-[dimethyl(phenyl)silyl]-4-ethenyl-3-[(4-methylphenyl)sulfonylmethyl]cyclopentyl]methanol?
[(1S,2S,3S,4R)-2-[dimethyl(phenyl)silyl]-4-ethenyl-3-[(4-methylphenyl)sulfonylmethyl]cyclopentyl]methanol has a molecular weight of 428.67 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S,3S,4R)-2-[dimethyl(phenyl)silyl]-4-ethenyl-3-[(4-methylphenyl)sulfonylmethyl]cyclopentyl]methanol is sourced from PubChem (CID 11690488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).