ethyl 1-but-3-enyl-2-trimethylsilyloxycyclopent-2-ene-1-carboxylate

C15H26O3Si — CID 134867109

IUPACethyl 1-but-3-enyl-2-trimethylsilyloxycyclopent-2-ene-1-carboxylate
SMILESC=CCCC1(C(=O)OCC)CCC=C1O[Si](C)(C)C
InChIInChI=1S/C15H26O3Si/c1-6-8-11-15(14(16)17-7-2)12-9-10-13(15)18-19(3,4)5/h6,10H,1,7-9,11-12H2,2-5H3
InChIKeyPOAQPMMAHVZDIO-UHFFFAOYSA-N
MW282.46 g/mol
LogP4.03
Rot. Bonds7

About ethyl 1-but-3-enyl-2-trimethylsilyloxycyclopent-2-ene-1-carboxylate

ethyl 1-but-3-enyl-2-trimethylsilyloxycyclopent-2-ene-1-carboxylate (PubChem CID 134867109) has the molecular formula C15H26O3Si and a molecular weight of 282.46 g/mol. Its IUPAC name is ethyl 1-but-3-enyl-2-trimethylsilyloxycyclopent-2-ene-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-but-3-enyl-2-trimethylsilyloxycyclopent-2-ene-1-carboxylate
PubChem CID134867109
Molecular FormulaC15H26O3Si
Molecular Weight282.46 g/mol
Exact Mass282.17
IUPAC Nameethyl 1-but-3-enyl-2-trimethylsilyloxycyclopent-2-ene-1-carboxylate
SMILESC=CCCC1(C(=O)OCC)CCC=C1O[Si](C)(C)C
InChIInChI=1S/C15H26O3Si/c1-6-8-11-15(14(16)17-7-2)12-9-10-13(15)18-19(3,4)5/h6,10H,1,7-9,11-12H2,2-5H3
InChIKeyPOAQPMMAHVZDIO-UHFFFAOYSA-N
XLogP4.03
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.46
LogP ≤ 54.03
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 ethyl 1-but-3-enyl-2-trimethylsilyloxycyclopent-2-ene-1-carboxylate?
The IUPAC name of ethyl 1-but-3-enyl-2-trimethylsilyloxycyclopent-2-ene-1-carboxylate (CID 134867109) is ethyl 1-but-3-enyl-2-trimethylsilyloxycyclopent-2-ene-1-carboxylate.
What is the SMILES notation for ethyl 1-but-3-enyl-2-trimethylsilyloxycyclopent-2-ene-1-carboxylate?
The canonical SMILES for ethyl 1-but-3-enyl-2-trimethylsilyloxycyclopent-2-ene-1-carboxylate is C=CCCC1(C(=O)OCC)CCC=C1O[Si](C)(C)C.
What is the InChIKey of ethyl 1-but-3-enyl-2-trimethylsilyloxycyclopent-2-ene-1-carboxylate?
The InChIKey is POAQPMMAHVZDIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O3Si/c1-6-8-11-15(14(16)17-7-2)12-9-10-13(15)18-19(3,4)5/h6,10H,1,7-9,11-12H2,2-5H3.
What are the key properties of ethyl 1-but-3-enyl-2-trimethylsilyloxycyclopent-2-ene-1-carboxylate?
ethyl 1-but-3-enyl-2-trimethylsilyloxycyclopent-2-ene-1-carboxylate has a molecular weight of 282.46 g/mol, XLogP of 4.03, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-but-3-enyl-2-trimethylsilyloxycyclopent-2-ene-1-carboxylate is sourced from PubChem (CID 134867109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).