2-[(1S,2S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-trimethylsilylcyclopent-3-en-1-yl]-N-ethylacetamide

C19H39NO2Si2 — CID 171365833

IUPAC2-[(1S,2S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-trimethylsilylcyclopent-3-en-1-yl]-N-ethylacetamide
SMILESCCNC(=O)C[C@H]1[C@@H](CO[Si](C)(C)C(C)(C)C)C=C[C@@H]1[Si](C)(C)C
InChIInChI=1S/C19H39NO2Si2/c1-10-20-18(21)13-16-15(11-12-17(16)23(5,6)7)14-22-24(8,9)19(2,3)4/h11-12,15-17H,10,13-14H2,1-9H3,(H,20,21)/t15-,16+,17+/m1/s1
InChIKeyTWNXBZOKQXFOPE-IKGGRYGDSA-N
MW369.70 g/mol
LogP5.05
Rot. Bonds7

About 2-[(1S,2S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-trimethylsilylcyclopent-3-en-1-yl]-N-ethylacetamide

2-[(1S,2S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-trimethylsilylcyclopent-3-en-1-yl]-N-ethylacetamide (PubChem CID 171365833) has the molecular formula C19H39NO2Si2 and a molecular weight of 369.70 g/mol. Its IUPAC name is 2-[(1S,2S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-trimethylsilylcyclopent-3-en-1-yl]-N-ethylacetamide.

Molecular Properties

Compound Name2-[(1S,2S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-trimethylsilylcyclopent-3-en-1-yl]-N-ethylacetamide
PubChem CID171365833
Molecular FormulaC19H39NO2Si2
Molecular Weight369.70 g/mol
Exact Mass369.25
IUPAC Name2-[(1S,2S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-trimethylsilylcyclopent-3-en-1-yl]-N-ethylacetamide
SMILESCCNC(=O)C[C@H]1[C@@H](CO[Si](C)(C)C(C)(C)C)C=C[C@@H]1[Si](C)(C)C
InChIInChI=1S/C19H39NO2Si2/c1-10-20-18(21)13-16-15(11-12-17(16)23(5,6)7)14-22-24(8,9)19(2,3)4/h11-12,15-17H,10,13-14H2,1-9H3,(H,20,21)/t15-,16+,17+/m1/s1
InChIKeyTWNXBZOKQXFOPE-IKGGRYGDSA-N
XLogP5.05
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.70
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2-[(1S,2S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-trimethylsilylcyclopent-3-en-1-yl]-N-ethylacetamide?
The IUPAC name of 2-[(1S,2S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-trimethylsilylcyclopent-3-en-1-yl]-N-ethylacetamide (CID 171365833) is 2-[(1S,2S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-trimethylsilylcyclopent-3-en-1-yl]-N-ethylacetamide.
What is the SMILES notation for 2-[(1S,2S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-trimethylsilylcyclopent-3-en-1-yl]-N-ethylacetamide?
The canonical SMILES for 2-[(1S,2S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-trimethylsilylcyclopent-3-en-1-yl]-N-ethylacetamide is CCNC(=O)C[C@H]1[C@@H](CO[Si](C)(C)C(C)(C)C)C=C[C@@H]1[Si](C)(C)C.
What is the InChIKey of 2-[(1S,2S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-trimethylsilylcyclopent-3-en-1-yl]-N-ethylacetamide?
The InChIKey is TWNXBZOKQXFOPE-IKGGRYGDSA-N. The full InChI is InChI=1S/C19H39NO2Si2/c1-10-20-18(21)13-16-15(11-12-17(16)23(5,6)7)14-22-24(8,9)19(2,3)4/h11-12,15-17H,10,13-14H2,1-9H3,(H,20,21)/t15-,16+,17+/m1/s1.
What are the key properties of 2-[(1S,2S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-trimethylsilylcyclopent-3-en-1-yl]-N-ethylacetamide?
2-[(1S,2S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-trimethylsilylcyclopent-3-en-1-yl]-N-ethylacetamide has a molecular weight of 369.70 g/mol, XLogP of 5.05, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-trimethylsilylcyclopent-3-en-1-yl]-N-ethylacetamide is sourced from PubChem (CID 171365833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).