ethyl 2-[(Z)-4-trimethylsilylbut-1-en-3-ynyl]cyclopentene-1-carboxylate

C15H22O2Si — CID 134993570

IUPACethyl 2-[(Z)-4-trimethylsilylbut-1-en-3-ynyl]cyclopentene-1-carboxylate
SMILESCCOC(=O)C1=C(/C=C\C#C[Si](C)(C)C)CCC1
InChIInChI=1S/C15H22O2Si/c1-5-17-15(16)14-11-8-10-13(14)9-6-7-12-18(2,3)4/h6,9H,5,8,10-11H2,1-4H3/b9-6-
InChIKeyJGRICOMFCJOXJT-TWGQIWQCSA-N
MW262.43 g/mol
LogP3.47
Rot. Bonds3

About ethyl 2-[(Z)-4-trimethylsilylbut-1-en-3-ynyl]cyclopentene-1-carboxylate

ethyl 2-[(Z)-4-trimethylsilylbut-1-en-3-ynyl]cyclopentene-1-carboxylate (PubChem CID 134993570) has the molecular formula C15H22O2Si and a molecular weight of 262.43 g/mol. Its IUPAC name is ethyl 2-[(Z)-4-trimethylsilylbut-1-en-3-ynyl]cyclopentene-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(Z)-4-trimethylsilylbut-1-en-3-ynyl]cyclopentene-1-carboxylate
PubChem CID134993570
Molecular FormulaC15H22O2Si
Molecular Weight262.43 g/mol
Exact Mass262.14
IUPAC Nameethyl 2-[(Z)-4-trimethylsilylbut-1-en-3-ynyl]cyclopentene-1-carboxylate
SMILESCCOC(=O)C1=C(/C=C\C#C[Si](C)(C)C)CCC1
InChIInChI=1S/C15H22O2Si/c1-5-17-15(16)14-11-8-10-13(14)9-6-7-12-18(2,3)4/h6,9H,5,8,10-11H2,1-4H3/b9-6-
InChIKeyJGRICOMFCJOXJT-TWGQIWQCSA-N
XLogP3.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.43
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethyl 2-[(Z)-4-trimethylsilylbut-1-en-3-ynyl]cyclopentene-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Methyl 2-(trimethylsilylmethyl)cyclopentene-1-carboxylate
CID 11117369
ethyl 2-[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-1-enyl]cyclopentene-1-carboxylate
CID 15668718
ethyl 2-[(Z)-but-1-en-3-ynyl]cyclopentene-1-carboxylate
CID 134889947
ethyl 2-[(1Z,5E)-7-[tert-butyl(dimethyl)silyl]oxydodeca-1,5-dien-3-ynyl]cyclopentene-1-carboxylate
CID 134901468
ethyl 2-[(E)-2-butyl-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclopentene-1-carboxylate
CID 134983708
ethyl 2-[(E)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclopentene-1-carboxylate
CID 10249234
ethyl 2-[(E)-4-trimethylsilylbut-1-en-3-ynyl]cyclopentene-1-carboxylate
CID 11054500
Prop-2-enyl 5-butyl-4-methylcyclopenta-1,4-diene-1-carboxylate
CID 67567685
methyl 2-[(E)-3-[tert-butyl(dimethyl)silyl]oxybut-1-enyl]cyclopentene-1-carboxylate
CID 71250203
methyl 5-[(2Z)-5-oxo-2-[tri(propan-2-yl)silylmethylidene]furan-3-yl]pentanoate
CID 166478890
Methyl 2-(2-trimethylsilylethynyl)cyclopentene-1-carboxylate
CID 171489906
methyl 2-[(E)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclopentene-1-carboxylate
CID 173678677

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(Z)-4-trimethylsilylbut-1-en-3-ynyl]cyclopentene-1-carboxylate?
The IUPAC name of ethyl 2-[(Z)-4-trimethylsilylbut-1-en-3-ynyl]cyclopentene-1-carboxylate (CID 134993570) is ethyl 2-[(Z)-4-trimethylsilylbut-1-en-3-ynyl]cyclopentene-1-carboxylate.
What is the SMILES notation for ethyl 2-[(Z)-4-trimethylsilylbut-1-en-3-ynyl]cyclopentene-1-carboxylate?
The canonical SMILES for ethyl 2-[(Z)-4-trimethylsilylbut-1-en-3-ynyl]cyclopentene-1-carboxylate is CCOC(=O)C1=C(/C=C\C#C[Si](C)(C)C)CCC1.
What is the InChIKey of ethyl 2-[(Z)-4-trimethylsilylbut-1-en-3-ynyl]cyclopentene-1-carboxylate?
The InChIKey is JGRICOMFCJOXJT-TWGQIWQCSA-N. The full InChI is InChI=1S/C15H22O2Si/c1-5-17-15(16)14-11-8-10-13(14)9-6-7-12-18(2,3)4/h6,9H,5,8,10-11H2,1-4H3/b9-6-.
What are the key properties of ethyl 2-[(Z)-4-trimethylsilylbut-1-en-3-ynyl]cyclopentene-1-carboxylate?
ethyl 2-[(Z)-4-trimethylsilylbut-1-en-3-ynyl]cyclopentene-1-carboxylate has a molecular weight of 262.43 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(Z)-4-trimethylsilylbut-1-en-3-ynyl]cyclopentene-1-carboxylate is sourced from PubChem (CID 134993570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).