ethyl 2-[(1R,2S,3R,5S)-3-[dimethyl(phenyl)silyl]-5-hydroxy-2-(hydroxymethyl)cyclopentyl]acetate

C18H28O4Si — CID 162415795

IUPACethyl 2-[(1R,2S,3R,5S)-3-[dimethyl(phenyl)silyl]-5-hydroxy-2-(hydroxymethyl)cyclopentyl]acetate
SMILESCCOC(=O)C[C@@H]1[C@@H](CO)[C@H]([Si](C)(C)c2ccccc2)C[C@@H]1O
InChIInChI=1S/C18H28O4Si/c1-4-22-18(21)10-14-15(12-19)17(11-16(14)20)23(2,3)13-8-6-5-7-9-13/h5-9,14-17,19-20H,4,10-12H2,1-3H3/t14-,15-,16+,17-/m1/s1
InChIKeyGJNUFBQKUQHXSJ-WCXIOVBPSA-N
MW336.50 g/mol
LogP1.91
Rot. Bonds6

About ethyl 2-[(1R,2S,3R,5S)-3-[dimethyl(phenyl)silyl]-5-hydroxy-2-(hydroxymethyl)cyclopentyl]acetate

ethyl 2-[(1R,2S,3R,5S)-3-[dimethyl(phenyl)silyl]-5-hydroxy-2-(hydroxymethyl)cyclopentyl]acetate (PubChem CID 162415795) has the molecular formula C18H28O4Si and a molecular weight of 336.50 g/mol. Its IUPAC name is ethyl 2-[(1R,2S,3R,5S)-3-[dimethyl(phenyl)silyl]-5-hydroxy-2-(hydroxymethyl)cyclopentyl]acetate.

Molecular Properties

Compound Nameethyl 2-[(1R,2S,3R,5S)-3-[dimethyl(phenyl)silyl]-5-hydroxy-2-(hydroxymethyl)cyclopentyl]acetate
PubChem CID162415795
Molecular FormulaC18H28O4Si
Molecular Weight336.50 g/mol
Exact Mass336.18
IUPAC Nameethyl 2-[(1R,2S,3R,5S)-3-[dimethyl(phenyl)silyl]-5-hydroxy-2-(hydroxymethyl)cyclopentyl]acetate
SMILESCCOC(=O)C[C@@H]1[C@@H](CO)[C@H]([Si](C)(C)c2ccccc2)C[C@@H]1O
InChIInChI=1S/C18H28O4Si/c1-4-22-18(21)10-14-15(12-19)17(11-16(14)20)23(2,3)13-8-6-5-7-9-13/h5-9,14-17,19-20H,4,10-12H2,1-3H3/t14-,15-,16+,17-/m1/s1
InChIKeyGJNUFBQKUQHXSJ-WCXIOVBPSA-N
XLogP1.91
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.50
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 ethyl 2-[(1R,2S,3R,5S)-3-[dimethyl(phenyl)silyl]-5-hydroxy-2-(hydroxymethyl)cyclopentyl]acetate?
The IUPAC name of ethyl 2-[(1R,2S,3R,5S)-3-[dimethyl(phenyl)silyl]-5-hydroxy-2-(hydroxymethyl)cyclopentyl]acetate (CID 162415795) is ethyl 2-[(1R,2S,3R,5S)-3-[dimethyl(phenyl)silyl]-5-hydroxy-2-(hydroxymethyl)cyclopentyl]acetate.
What is the SMILES notation for ethyl 2-[(1R,2S,3R,5S)-3-[dimethyl(phenyl)silyl]-5-hydroxy-2-(hydroxymethyl)cyclopentyl]acetate?
The canonical SMILES for ethyl 2-[(1R,2S,3R,5S)-3-[dimethyl(phenyl)silyl]-5-hydroxy-2-(hydroxymethyl)cyclopentyl]acetate is CCOC(=O)C[C@@H]1[C@@H](CO)[C@H]([Si](C)(C)c2ccccc2)C[C@@H]1O.
What is the InChIKey of ethyl 2-[(1R,2S,3R,5S)-3-[dimethyl(phenyl)silyl]-5-hydroxy-2-(hydroxymethyl)cyclopentyl]acetate?
The InChIKey is GJNUFBQKUQHXSJ-WCXIOVBPSA-N. The full InChI is InChI=1S/C18H28O4Si/c1-4-22-18(21)10-14-15(12-19)17(11-16(14)20)23(2,3)13-8-6-5-7-9-13/h5-9,14-17,19-20H,4,10-12H2,1-3H3/t14-,15-,16+,17-/m1/s1.
What are the key properties of ethyl 2-[(1R,2S,3R,5S)-3-[dimethyl(phenyl)silyl]-5-hydroxy-2-(hydroxymethyl)cyclopentyl]acetate?
ethyl 2-[(1R,2S,3R,5S)-3-[dimethyl(phenyl)silyl]-5-hydroxy-2-(hydroxymethyl)cyclopentyl]acetate has a molecular weight of 336.50 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1R,2S,3R,5S)-3-[dimethyl(phenyl)silyl]-5-hydroxy-2-(hydroxymethyl)cyclopentyl]acetate is sourced from PubChem (CID 162415795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).