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

C14H26O3Si — CID 11380222

IUPACmethyl 2-[(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]acetate
SMILESCOC(=O)C[C@H]1C=C[C@@H](O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C14H26O3Si/c1-14(2,3)18(5,6)17-12-8-7-11(9-12)10-13(15)16-4/h7-8,11-12H,9-10H2,1-6H3/t11-,12+/m0/s1
InChIKeyNAJUQWDLTXYDSL-NWDGAFQWSA-N
MW270.44 g/mol
LogP3.52
Rot. Bonds4

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

methyl 2-[(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]acetate (PubChem CID 11380222) has the molecular formula C14H26O3Si and a molecular weight of 270.44 g/mol. Its IUPAC name is methyl 2-[(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]acetate
PubChem CID11380222
Molecular FormulaC14H26O3Si
Molecular Weight270.44 g/mol
Exact Mass270.17
IUPAC Namemethyl 2-[(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]acetate
SMILESCOC(=O)C[C@H]1C=C[C@@H](O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C14H26O3Si/c1-14(2,3)18(5,6)17-12-8-7-11(9-12)10-13(15)16-4/h7-8,11-12H,9-10H2,1-6H3/t11-,12+/m0/s1
InChIKeyNAJUQWDLTXYDSL-NWDGAFQWSA-N
XLogP3.52
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]acetate?
The IUPAC name of methyl 2-[(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]acetate (CID 11380222) is methyl 2-[(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]acetate.
What is the SMILES notation for methyl 2-[(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]acetate?
The canonical SMILES for methyl 2-[(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]acetate is COC(=O)C[C@H]1C=C[C@@H](O[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of methyl 2-[(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]acetate?
The InChIKey is NAJUQWDLTXYDSL-NWDGAFQWSA-N. The full InChI is InChI=1S/C14H26O3Si/c1-14(2,3)18(5,6)17-12-8-7-11(9-12)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-[(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]acetate?
methyl 2-[(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]acetate has a molecular weight of 270.44 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]acetate is sourced from PubChem (CID 11380222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).