methyl 2-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]oxyacetate

C14H26O4Si — CID 53465922

IUPACmethyl 2-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]oxyacetate
SMILESCOC(=O)CO[C@H]1C=C[C@@H](O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C14H26O4Si/c1-14(2,3)19(5,6)18-12-8-7-11(9-12)17-10-13(15)16-4/h7-8,11-12H,9-10H2,1-6H3/t11-,12+/m0/s1
InChIKeyXJAHTTUIBJYYMH-NWDGAFQWSA-N
MW286.44 g/mol
LogP2.89
Rot. Bonds5

About methyl 2-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]oxyacetate

methyl 2-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]oxyacetate (PubChem CID 53465922) has the molecular formula C14H26O4Si and a molecular weight of 286.44 g/mol. Its IUPAC name is methyl 2-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]oxyacetate.

Molecular Properties

Compound Namemethyl 2-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]oxyacetate
PubChem CID53465922
Molecular FormulaC14H26O4Si
Molecular Weight286.44 g/mol
Exact Mass286.16
IUPAC Namemethyl 2-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]oxyacetate
SMILESCOC(=O)CO[C@H]1C=C[C@@H](O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C14H26O4Si/c1-14(2,3)19(5,6)18-12-8-7-11(9-12)17-10-13(15)16-4/h7-8,11-12H,9-10H2,1-6H3/t11-,12+/m0/s1
InChIKeyXJAHTTUIBJYYMH-NWDGAFQWSA-N
XLogP2.89
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 methyl 2-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]oxyacetate?
The IUPAC name of methyl 2-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]oxyacetate (CID 53465922) is methyl 2-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]oxyacetate.
What is the SMILES notation for methyl 2-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]oxyacetate?
The canonical SMILES for methyl 2-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]oxyacetate is COC(=O)CO[C@H]1C=C[C@@H](O[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of methyl 2-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]oxyacetate?
The InChIKey is XJAHTTUIBJYYMH-NWDGAFQWSA-N. The full InChI is InChI=1S/C14H26O4Si/c1-14(2,3)19(5,6)18-12-8-7-11(9-12)17-10-13(15)16-4/h7-8,11-12H,9-10H2,1-6H3/t11-,12+/m0/s1.
What are the key properties of methyl 2-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]oxyacetate?
methyl 2-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]oxyacetate has a molecular weight of 286.44 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]oxyacetate is sourced from PubChem (CID 53465922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).