(2Z)-4-ethoxy-5-methyl-2-(1-trimethylsilylpent-4-enylidene)cyclopent-4-ene-1,3-dione

C16H24O3Si — CID 10732438

IUPAC(2Z)-4-ethoxy-5-methyl-2-(1-trimethylsilylpent-4-enylidene)cyclopent-4-ene-1,3-dione
SMILESC=CCC/C(=C1\C(=O)C(C)=C(OCC)C1=O)[Si](C)(C)C
InChIInChI=1S/C16H24O3Si/c1-7-9-10-12(20(4,5)6)13-14(17)11(3)16(15(13)18)19-8-2/h7H,1,8-10H2,2-6H3/b13-12-
InChIKeyJVAVLPRBFHENNW-SEYXRHQNSA-N
MW292.45 g/mol
LogP3.59
Rot. Bonds6

About (2Z)-4-ethoxy-5-methyl-2-(1-trimethylsilylpent-4-enylidene)cyclopent-4-ene-1,3-dione

(2Z)-4-ethoxy-5-methyl-2-(1-trimethylsilylpent-4-enylidene)cyclopent-4-ene-1,3-dione (PubChem CID 10732438) has the molecular formula C16H24O3Si and a molecular weight of 292.45 g/mol. Its IUPAC name is (2Z)-4-ethoxy-5-methyl-2-(1-trimethylsilylpent-4-enylidene)cyclopent-4-ene-1,3-dione.

Molecular Properties

Compound Name(2Z)-4-ethoxy-5-methyl-2-(1-trimethylsilylpent-4-enylidene)cyclopent-4-ene-1,3-dione
PubChem CID10732438
Molecular FormulaC16H24O3Si
Molecular Weight292.45 g/mol
Exact Mass292.15
IUPAC Name(2Z)-4-ethoxy-5-methyl-2-(1-trimethylsilylpent-4-enylidene)cyclopent-4-ene-1,3-dione
SMILESC=CCC/C(=C1\C(=O)C(C)=C(OCC)C1=O)[Si](C)(C)C
InChIInChI=1S/C16H24O3Si/c1-7-9-10-12(20(4,5)6)13-14(17)11(3)16(15(13)18)19-8-2/h7H,1,8-10H2,2-6H3/b13-12-
InChIKeyJVAVLPRBFHENNW-SEYXRHQNSA-N
XLogP3.59
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 53.59
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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-4-ethoxy-5-methyl-2-(1-trimethylsilylpent-4-enylidene)cyclopent-4-ene-1,3-dione?
The IUPAC name of (2Z)-4-ethoxy-5-methyl-2-(1-trimethylsilylpent-4-enylidene)cyclopent-4-ene-1,3-dione (CID 10732438) is (2Z)-4-ethoxy-5-methyl-2-(1-trimethylsilylpent-4-enylidene)cyclopent-4-ene-1,3-dione.
What is the SMILES notation for (2Z)-4-ethoxy-5-methyl-2-(1-trimethylsilylpent-4-enylidene)cyclopent-4-ene-1,3-dione?
The canonical SMILES for (2Z)-4-ethoxy-5-methyl-2-(1-trimethylsilylpent-4-enylidene)cyclopent-4-ene-1,3-dione is C=CCC/C(=C1\C(=O)C(C)=C(OCC)C1=O)[Si](C)(C)C.
What is the InChIKey of (2Z)-4-ethoxy-5-methyl-2-(1-trimethylsilylpent-4-enylidene)cyclopent-4-ene-1,3-dione?
The InChIKey is JVAVLPRBFHENNW-SEYXRHQNSA-N. The full InChI is InChI=1S/C16H24O3Si/c1-7-9-10-12(20(4,5)6)13-14(17)11(3)16(15(13)18)19-8-2/h7H,1,8-10H2,2-6H3/b13-12-.
What are the key properties of (2Z)-4-ethoxy-5-methyl-2-(1-trimethylsilylpent-4-enylidene)cyclopent-4-ene-1,3-dione?
(2Z)-4-ethoxy-5-methyl-2-(1-trimethylsilylpent-4-enylidene)cyclopent-4-ene-1,3-dione has a molecular weight of 292.45 g/mol, XLogP of 3.59, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-4-ethoxy-5-methyl-2-(1-trimethylsilylpent-4-enylidene)cyclopent-4-ene-1,3-dione is sourced from PubChem (CID 10732438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).