(E)-3-[2-acetyl-5-[tert-butyl(dimethyl)silyl]oxy-3-oxocyclopenten-1-yl]prop-2-enal

C16H24O4Si — CID 102328557

IUPAC(E)-3-[2-acetyl-5-[tert-butyl(dimethyl)silyl]oxy-3-oxocyclopenten-1-yl]prop-2-enal
SMILESCC(=O)C1=C(/C=C/C=O)C(O[Si](C)(C)C(C)(C)C)CC1=O
InChIInChI=1S/C16H24O4Si/c1-11(18)15-12(8-7-9-17)14(10-13(15)19)20-21(5,6)16(2,3)4/h7-9,14H,10H2,1-6H3/b8-7+
InChIKeyUEWKUNUYOHSELA-BQYQJAHWSA-N
MW308.45 g/mol
LogP2.99
Rot. Bonds5

About (E)-3-[2-acetyl-5-[tert-butyl(dimethyl)silyl]oxy-3-oxocyclopenten-1-yl]prop-2-enal

(E)-3-[2-acetyl-5-[tert-butyl(dimethyl)silyl]oxy-3-oxocyclopenten-1-yl]prop-2-enal (PubChem CID 102328557) has the molecular formula C16H24O4Si and a molecular weight of 308.45 g/mol. Its IUPAC name is (E)-3-[2-acetyl-5-[tert-butyl(dimethyl)silyl]oxy-3-oxocyclopenten-1-yl]prop-2-enal.

Molecular Properties

Compound Name(E)-3-[2-acetyl-5-[tert-butyl(dimethyl)silyl]oxy-3-oxocyclopenten-1-yl]prop-2-enal
PubChem CID102328557
Molecular FormulaC16H24O4Si
Molecular Weight308.45 g/mol
Exact Mass308.14
IUPAC Name(E)-3-[2-acetyl-5-[tert-butyl(dimethyl)silyl]oxy-3-oxocyclopenten-1-yl]prop-2-enal
SMILESCC(=O)C1=C(/C=C/C=O)C(O[Si](C)(C)C(C)(C)C)CC1=O
InChIInChI=1S/C16H24O4Si/c1-11(18)15-12(8-7-9-17)14(10-13(15)19)20-21(5,6)16(2,3)4/h7-9,14H,10H2,1-6H3/b8-7+
InChIKeyUEWKUNUYOHSELA-BQYQJAHWSA-N
XLogP2.99
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Analyze (E)-3-[2-acetyl-5-[tert-butyl(dimethyl)silyl]oxy-3-oxocyclopenten-1-yl]prop-2-enal with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-3-[2-acetyl-5-[tert-butyl(dimethyl)silyl]oxy-3-oxocyclopenten-1-yl]prop-2-enal?
The IUPAC name of (E)-3-[2-acetyl-5-[tert-butyl(dimethyl)silyl]oxy-3-oxocyclopenten-1-yl]prop-2-enal (CID 102328557) is (E)-3-[2-acetyl-5-[tert-butyl(dimethyl)silyl]oxy-3-oxocyclopenten-1-yl]prop-2-enal.
What is the SMILES notation for (E)-3-[2-acetyl-5-[tert-butyl(dimethyl)silyl]oxy-3-oxocyclopenten-1-yl]prop-2-enal?
The canonical SMILES for (E)-3-[2-acetyl-5-[tert-butyl(dimethyl)silyl]oxy-3-oxocyclopenten-1-yl]prop-2-enal is CC(=O)C1=C(/C=C/C=O)C(O[Si](C)(C)C(C)(C)C)CC1=O.
What is the InChIKey of (E)-3-[2-acetyl-5-[tert-butyl(dimethyl)silyl]oxy-3-oxocyclopenten-1-yl]prop-2-enal?
The InChIKey is UEWKUNUYOHSELA-BQYQJAHWSA-N. The full InChI is InChI=1S/C16H24O4Si/c1-11(18)15-12(8-7-9-17)14(10-13(15)19)20-21(5,6)16(2,3)4/h7-9,14H,10H2,1-6H3/b8-7+.
What are the key properties of (E)-3-[2-acetyl-5-[tert-butyl(dimethyl)silyl]oxy-3-oxocyclopenten-1-yl]prop-2-enal?
(E)-3-[2-acetyl-5-[tert-butyl(dimethyl)silyl]oxy-3-oxocyclopenten-1-yl]prop-2-enal has a molecular weight of 308.45 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[2-acetyl-5-[tert-butyl(dimethyl)silyl]oxy-3-oxocyclopenten-1-yl]prop-2-enal is sourced from PubChem (CID 102328557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).