ethyl 2-[(1R,2S,3R)-3-[dimethyl(phenyl)silyl]-2-formyl-5-oxocyclopentyl]acetate

C18H24O4Si — CID 156722621

IUPACethyl 2-[(1R,2S,3R)-3-[dimethyl(phenyl)silyl]-2-formyl-5-oxocyclopentyl]acetate
SMILESCCOC(=O)C[C@H]1C(=O)C[C@@H]([Si](C)(C)c2ccccc2)[C@@H]1C=O
InChIInChI=1S/C18H24O4Si/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/h5-9,12,14-15,17H,4,10-11H2,1-3H3/t14-,15-,17-/m1/s1
InChIKeyBIEDJWAWKALORM-BFYDXBDKSA-N
MW332.47 g/mol
LogP2.33
Rot. Bonds6

About ethyl 2-[(1R,2S,3R)-3-[dimethyl(phenyl)silyl]-2-formyl-5-oxocyclopentyl]acetate

ethyl 2-[(1R,2S,3R)-3-[dimethyl(phenyl)silyl]-2-formyl-5-oxocyclopentyl]acetate (PubChem CID 156722621) has the molecular formula C18H24O4Si and a molecular weight of 332.47 g/mol. Its IUPAC name is ethyl 2-[(1R,2S,3R)-3-[dimethyl(phenyl)silyl]-2-formyl-5-oxocyclopentyl]acetate.

Molecular Properties

Compound Nameethyl 2-[(1R,2S,3R)-3-[dimethyl(phenyl)silyl]-2-formyl-5-oxocyclopentyl]acetate
PubChem CID156722621
Molecular FormulaC18H24O4Si
Molecular Weight332.47 g/mol
Exact Mass332.14
IUPAC Nameethyl 2-[(1R,2S,3R)-3-[dimethyl(phenyl)silyl]-2-formyl-5-oxocyclopentyl]acetate
SMILESCCOC(=O)C[C@H]1C(=O)C[C@@H]([Si](C)(C)c2ccccc2)[C@@H]1C=O
InChIInChI=1S/C18H24O4Si/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/h5-9,12,14-15,17H,4,10-11H2,1-3H3/t14-,15-,17-/m1/s1
InChIKeyBIEDJWAWKALORM-BFYDXBDKSA-N
XLogP2.33
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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)-3-[dimethyl(phenyl)silyl]-2-formyl-5-oxocyclopentyl]acetate?
The IUPAC name of ethyl 2-[(1R,2S,3R)-3-[dimethyl(phenyl)silyl]-2-formyl-5-oxocyclopentyl]acetate (CID 156722621) is ethyl 2-[(1R,2S,3R)-3-[dimethyl(phenyl)silyl]-2-formyl-5-oxocyclopentyl]acetate.
What is the SMILES notation for ethyl 2-[(1R,2S,3R)-3-[dimethyl(phenyl)silyl]-2-formyl-5-oxocyclopentyl]acetate?
The canonical SMILES for ethyl 2-[(1R,2S,3R)-3-[dimethyl(phenyl)silyl]-2-formyl-5-oxocyclopentyl]acetate is CCOC(=O)C[C@H]1C(=O)C[C@@H]([Si](C)(C)c2ccccc2)[C@@H]1C=O.
What is the InChIKey of ethyl 2-[(1R,2S,3R)-3-[dimethyl(phenyl)silyl]-2-formyl-5-oxocyclopentyl]acetate?
The InChIKey is BIEDJWAWKALORM-BFYDXBDKSA-N. The full InChI is InChI=1S/C18H24O4Si/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/h5-9,12,14-15,17H,4,10-11H2,1-3H3/t14-,15-,17-/m1/s1.
What are the key properties of ethyl 2-[(1R,2S,3R)-3-[dimethyl(phenyl)silyl]-2-formyl-5-oxocyclopentyl]acetate?
ethyl 2-[(1R,2S,3R)-3-[dimethyl(phenyl)silyl]-2-formyl-5-oxocyclopentyl]acetate has a molecular weight of 332.47 g/mol, XLogP of 2.33, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1R,2S,3R)-3-[dimethyl(phenyl)silyl]-2-formyl-5-oxocyclopentyl]acetate is sourced from PubChem (CID 156722621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).