methyl 2-[(E)-3-[tert-butyl(dimethyl)silyl]oxybut-1-enyl]cyclopentene-1-carboxylate

C17H30O3Si — CID 71250203

IUPACmethyl 2-[(E)-3-[tert-butyl(dimethyl)silyl]oxybut-1-enyl]cyclopentene-1-carboxylate
SMILESCOC(=O)C1=C(/C=C/C(C)O[Si](C)(C)C(C)(C)C)CCC1
InChIInChI=1S/C17H30O3Si/c1-13(20-21(6,7)17(2,3)4)11-12-14-9-8-10-15(14)16(18)19-5/h11-13H,8-10H2,1-7H3/b12-11+
InChIKeyZATXEPFHEMMFTM-VAWYXSNFSA-N
MW310.51 g/mol
LogP4.61
Rot. Bonds5

About methyl 2-[(E)-3-[tert-butyl(dimethyl)silyl]oxybut-1-enyl]cyclopentene-1-carboxylate

methyl 2-[(E)-3-[tert-butyl(dimethyl)silyl]oxybut-1-enyl]cyclopentene-1-carboxylate (PubChem CID 71250203) has the molecular formula C17H30O3Si and a molecular weight of 310.51 g/mol. Its IUPAC name is methyl 2-[(E)-3-[tert-butyl(dimethyl)silyl]oxybut-1-enyl]cyclopentene-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(E)-3-[tert-butyl(dimethyl)silyl]oxybut-1-enyl]cyclopentene-1-carboxylate
PubChem CID71250203
Molecular FormulaC17H30O3Si
Molecular Weight310.51 g/mol
Exact Mass310.20
IUPAC Namemethyl 2-[(E)-3-[tert-butyl(dimethyl)silyl]oxybut-1-enyl]cyclopentene-1-carboxylate
SMILESCOC(=O)C1=C(/C=C/C(C)O[Si](C)(C)C(C)(C)C)CCC1
InChIInChI=1S/C17H30O3Si/c1-13(20-21(6,7)17(2,3)4)11-12-14-9-8-10-15(14)16(18)19-5/h11-13H,8-10H2,1-7H3/b12-11+
InChIKeyZATXEPFHEMMFTM-VAWYXSNFSA-N
XLogP4.61
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.51
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(E)-3-[tert-butyl(dimethyl)silyl]oxybut-1-enyl]cyclopentene-1-carboxylate?
The IUPAC name of methyl 2-[(E)-3-[tert-butyl(dimethyl)silyl]oxybut-1-enyl]cyclopentene-1-carboxylate (CID 71250203) is methyl 2-[(E)-3-[tert-butyl(dimethyl)silyl]oxybut-1-enyl]cyclopentene-1-carboxylate.
What is the SMILES notation for methyl 2-[(E)-3-[tert-butyl(dimethyl)silyl]oxybut-1-enyl]cyclopentene-1-carboxylate?
The canonical SMILES for methyl 2-[(E)-3-[tert-butyl(dimethyl)silyl]oxybut-1-enyl]cyclopentene-1-carboxylate is COC(=O)C1=C(/C=C/C(C)O[Si](C)(C)C(C)(C)C)CCC1.
What is the InChIKey of methyl 2-[(E)-3-[tert-butyl(dimethyl)silyl]oxybut-1-enyl]cyclopentene-1-carboxylate?
The InChIKey is ZATXEPFHEMMFTM-VAWYXSNFSA-N. The full InChI is InChI=1S/C17H30O3Si/c1-13(20-21(6,7)17(2,3)4)11-12-14-9-8-10-15(14)16(18)19-5/h11-13H,8-10H2,1-7H3/b12-11+.
What are the key properties of methyl 2-[(E)-3-[tert-butyl(dimethyl)silyl]oxybut-1-enyl]cyclopentene-1-carboxylate?
methyl 2-[(E)-3-[tert-butyl(dimethyl)silyl]oxybut-1-enyl]cyclopentene-1-carboxylate has a molecular weight of 310.51 g/mol, XLogP of 4.61, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(E)-3-[tert-butyl(dimethyl)silyl]oxybut-1-enyl]cyclopentene-1-carboxylate is sourced from PubChem (CID 71250203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).