ethyl 2-[(1R,3S)-2-oxo-3-[tris(trimethylsilyl)silylmethyl]cyclopentyl]acetate

C19H42O3Si4 — CID 10917012

IUPACethyl 2-[(1R,3S)-2-oxo-3-[tris(trimethylsilyl)silylmethyl]cyclopentyl]acetate
SMILESCCOC(=O)C[C@H]1CC[C@H](C[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)C1=O
InChIInChI=1S/C19H42O3Si4/c1-11-22-18(20)14-16-12-13-17(19(16)21)15-26(23(2,3)4,24(5,6)7)25(8,9)10/h16-17H,11-15H2,1-10H3/t16-,17-/m1/s1
InChIKeyJIYSPVWAGAVAMK-IAGOWNOFSA-N
MW430.89 g/mol
LogP5.23
Rot. Bonds8

About ethyl 2-[(1R,3S)-2-oxo-3-[tris(trimethylsilyl)silylmethyl]cyclopentyl]acetate

ethyl 2-[(1R,3S)-2-oxo-3-[tris(trimethylsilyl)silylmethyl]cyclopentyl]acetate (PubChem CID 10917012) has the molecular formula C19H42O3Si4 and a molecular weight of 430.89 g/mol. Its IUPAC name is ethyl 2-[(1R,3S)-2-oxo-3-[tris(trimethylsilyl)silylmethyl]cyclopentyl]acetate.

Molecular Properties

Compound Nameethyl 2-[(1R,3S)-2-oxo-3-[tris(trimethylsilyl)silylmethyl]cyclopentyl]acetate
PubChem CID10917012
Molecular FormulaC19H42O3Si4
Molecular Weight430.89 g/mol
Exact Mass430.22
IUPAC Nameethyl 2-[(1R,3S)-2-oxo-3-[tris(trimethylsilyl)silylmethyl]cyclopentyl]acetate
SMILESCCOC(=O)C[C@H]1CC[C@H](C[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)C1=O
InChIInChI=1S/C19H42O3Si4/c1-11-22-18(20)14-16-12-13-17(19(16)21)15-26(23(2,3)4,24(5,6)7)25(8,9)10/h16-17H,11-15H2,1-10H3/t16-,17-/m1/s1
InChIKeyJIYSPVWAGAVAMK-IAGOWNOFSA-N
XLogP5.23
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.89
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 162109762
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CID 57249466
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CID 91222586
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CID 177482165

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(1R,3S)-2-oxo-3-[tris(trimethylsilyl)silylmethyl]cyclopentyl]acetate?
The IUPAC name of ethyl 2-[(1R,3S)-2-oxo-3-[tris(trimethylsilyl)silylmethyl]cyclopentyl]acetate (CID 10917012) is ethyl 2-[(1R,3S)-2-oxo-3-[tris(trimethylsilyl)silylmethyl]cyclopentyl]acetate.
What is the SMILES notation for ethyl 2-[(1R,3S)-2-oxo-3-[tris(trimethylsilyl)silylmethyl]cyclopentyl]acetate?
The canonical SMILES for ethyl 2-[(1R,3S)-2-oxo-3-[tris(trimethylsilyl)silylmethyl]cyclopentyl]acetate is CCOC(=O)C[C@H]1CC[C@H](C[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)C1=O.
What is the InChIKey of ethyl 2-[(1R,3S)-2-oxo-3-[tris(trimethylsilyl)silylmethyl]cyclopentyl]acetate?
The InChIKey is JIYSPVWAGAVAMK-IAGOWNOFSA-N. The full InChI is InChI=1S/C19H42O3Si4/c1-11-22-18(20)14-16-12-13-17(19(16)21)15-26(23(2,3)4,24(5,6)7)25(8,9)10/h16-17H,11-15H2,1-10H3/t16-,17-/m1/s1.
What are the key properties of ethyl 2-[(1R,3S)-2-oxo-3-[tris(trimethylsilyl)silylmethyl]cyclopentyl]acetate?
ethyl 2-[(1R,3S)-2-oxo-3-[tris(trimethylsilyl)silylmethyl]cyclopentyl]acetate has a molecular weight of 430.89 g/mol, XLogP of 5.23, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1R,3S)-2-oxo-3-[tris(trimethylsilyl)silylmethyl]cyclopentyl]acetate is sourced from PubChem (CID 10917012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).