ethyl 2-(3-trimethylsilyloxycyclopent-2-en-1-yl)pent-4-enoate

C15H26O3Si — CID 11065923

IUPACethyl 2-(3-trimethylsilyloxycyclopent-2-en-1-yl)pent-4-enoate
SMILESC=CCC(C(=O)OCC)C1C=C(O[Si](C)(C)C)CC1
InChIInChI=1S/C15H26O3Si/c1-6-8-14(15(16)17-7-2)12-9-10-13(11-12)18-19(3,4)5/h6,11-12,14H,1,7-10H2,2-5H3
InChIKeyIQBUQXNVQSKZKQ-UHFFFAOYSA-N
MW282.46 g/mol
LogP3.89
Rot. Bonds7

About ethyl 2-(3-trimethylsilyloxycyclopent-2-en-1-yl)pent-4-enoate

ethyl 2-(3-trimethylsilyloxycyclopent-2-en-1-yl)pent-4-enoate (PubChem CID 11065923) has the molecular formula C15H26O3Si and a molecular weight of 282.46 g/mol. Its IUPAC name is ethyl 2-(3-trimethylsilyloxycyclopent-2-en-1-yl)pent-4-enoate.

Molecular Properties

Compound Nameethyl 2-(3-trimethylsilyloxycyclopent-2-en-1-yl)pent-4-enoate
PubChem CID11065923
Molecular FormulaC15H26O3Si
Molecular Weight282.46 g/mol
Exact Mass282.17
IUPAC Nameethyl 2-(3-trimethylsilyloxycyclopent-2-en-1-yl)pent-4-enoate
SMILESC=CCC(C(=O)OCC)C1C=C(O[Si](C)(C)C)CC1
InChIInChI=1S/C15H26O3Si/c1-6-8-14(15(16)17-7-2)12-9-10-13(11-12)18-19(3,4)5/h6,11-12,14H,1,7-10H2,2-5H3
InChIKeyIQBUQXNVQSKZKQ-UHFFFAOYSA-N
XLogP3.89
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 ≤ 53.89
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 2-(3-trimethylsilyloxycyclopent-2-en-1-yl)pent-4-enoate?
The IUPAC name of ethyl 2-(3-trimethylsilyloxycyclopent-2-en-1-yl)pent-4-enoate (CID 11065923) is ethyl 2-(3-trimethylsilyloxycyclopent-2-en-1-yl)pent-4-enoate.
What is the SMILES notation for ethyl 2-(3-trimethylsilyloxycyclopent-2-en-1-yl)pent-4-enoate?
The canonical SMILES for ethyl 2-(3-trimethylsilyloxycyclopent-2-en-1-yl)pent-4-enoate is C=CCC(C(=O)OCC)C1C=C(O[Si](C)(C)C)CC1.
What is the InChIKey of ethyl 2-(3-trimethylsilyloxycyclopent-2-en-1-yl)pent-4-enoate?
The InChIKey is IQBUQXNVQSKZKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O3Si/c1-6-8-14(15(16)17-7-2)12-9-10-13(11-12)18-19(3,4)5/h6,11-12,14H,1,7-10H2,2-5H3.
What are the key properties of ethyl 2-(3-trimethylsilyloxycyclopent-2-en-1-yl)pent-4-enoate?
ethyl 2-(3-trimethylsilyloxycyclopent-2-en-1-yl)pent-4-enoate has a molecular weight of 282.46 g/mol, XLogP of 3.89, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-trimethylsilyloxycyclopent-2-en-1-yl)pent-4-enoate is sourced from PubChem (CID 11065923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).