diethyl 2-[(E)-4-cyclopropylbut-3-en-2-yl]-2-(3-trimethylsilylprop-2-ynyl)propanedioate

C20H32O4Si — CID 24808269

IUPACdiethyl 2-[(E)-4-cyclopropylbut-3-en-2-yl]-2-(3-trimethylsilylprop-2-ynyl)propanedioate
SMILESCCOC(=O)C(CC#C[Si](C)(C)C)(C(=O)OCC)C(C)/C=C/C1CC1
InChIInChI=1S/C20H32O4Si/c1-7-23-18(21)20(19(22)24-8-2,14-9-15-25(4,5)6)16(3)10-11-17-12-13-17/h10-11,16-17H,7-8,12-14H2,1-6H3/b11-10+
InChIKeyJMTHWTYFUISVOO-ZHACJKMWSA-N
MW364.56 g/mol
LogP3.97
Rot. Bonds8

About diethyl 2-[(E)-4-cyclopropylbut-3-en-2-yl]-2-(3-trimethylsilylprop-2-ynyl)propanedioate

diethyl 2-[(E)-4-cyclopropylbut-3-en-2-yl]-2-(3-trimethylsilylprop-2-ynyl)propanedioate (PubChem CID 24808269) has the molecular formula C20H32O4Si and a molecular weight of 364.56 g/mol. Its IUPAC name is diethyl 2-[(E)-4-cyclopropylbut-3-en-2-yl]-2-(3-trimethylsilylprop-2-ynyl)propanedioate.

Molecular Properties

Compound Namediethyl 2-[(E)-4-cyclopropylbut-3-en-2-yl]-2-(3-trimethylsilylprop-2-ynyl)propanedioate
PubChem CID24808269
Molecular FormulaC20H32O4Si
Molecular Weight364.56 g/mol
Exact Mass364.21
IUPAC Namediethyl 2-[(E)-4-cyclopropylbut-3-en-2-yl]-2-(3-trimethylsilylprop-2-ynyl)propanedioate
SMILESCCOC(=O)C(CC#C[Si](C)(C)C)(C(=O)OCC)C(C)/C=C/C1CC1
InChIInChI=1S/C20H32O4Si/c1-7-23-18(21)20(19(22)24-8-2,14-9-15-25(4,5)6)16(3)10-11-17-12-13-17/h10-11,16-17H,7-8,12-14H2,1-6H3/b11-10+
InChIKeyJMTHWTYFUISVOO-ZHACJKMWSA-N
XLogP3.97
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.56
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze diethyl 2-[(E)-4-cyclopropylbut-3-en-2-yl]-2-(3-trimethylsilylprop-2-ynyl)propanedioate 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

diethyl 2-[(E)-3-cyclopropylprop-2-enyl]-2-prop-2-ynylpropanedioate
CID 101111971
Diethyl 2-[4-[tert-butyl(dimethyl)silyl]oxybut-2-ynyl]-2-(2-cyclopropylideneethyl)propanedioate
CID 11463961
diethyl 2-but-2-ynyl-2-[(E)-pent-3-en-2-yl]propanedioate
CID 11780926
Tetraethyl 12-trimethylsilyldodec-1-en-6,11-diyne-3,3,8,8-tetracarboxylate
CID 12128831
Diethyl 2-prop-2-enyl-2-(3-trimethylsilylprop-2-ynyl)propanedioate
CID 13866733
dimethyl 2-[(E)-but-2-enyl]-2-(3-trimethylsilylprop-2-ynyl)propanedioate
CID 14911451
triethyl (E)-7-cyclopropyl-5-methylhept-6-en-1-yne-1,4,4-tricarboxylate
CID 24808271
dimethyl 2-[(E)-3-cyclopropylbut-2-enyl]-2-(3-trimethylsilylprop-2-ynyl)propanedioate
CID 102121842
dimethyl 2-[(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-1-enyl]cyclopropane-1,1-dicarboxylate
CID 102143484
diethyl 2-[(2Z)-3-iodohepta-2,6-dienyl]-2-(3-trimethylsilylprop-2-ynyl)propanedioate
CID 134887251
tert-butyl (E)-2-acetyl-5-[(1S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethylcyclopropyl]pent-4-enoate
CID 135031905
dimethyl 2-[(E)-3-trimethylsilylprop-1-enyl]cyclopropane-1,1-dicarboxylate
CID 135042043

Frequently Asked Questions

What is the IUPAC name of diethyl 2-[(E)-4-cyclopropylbut-3-en-2-yl]-2-(3-trimethylsilylprop-2-ynyl)propanedioate?
The IUPAC name of diethyl 2-[(E)-4-cyclopropylbut-3-en-2-yl]-2-(3-trimethylsilylprop-2-ynyl)propanedioate (CID 24808269) is diethyl 2-[(E)-4-cyclopropylbut-3-en-2-yl]-2-(3-trimethylsilylprop-2-ynyl)propanedioate.
What is the SMILES notation for diethyl 2-[(E)-4-cyclopropylbut-3-en-2-yl]-2-(3-trimethylsilylprop-2-ynyl)propanedioate?
The canonical SMILES for diethyl 2-[(E)-4-cyclopropylbut-3-en-2-yl]-2-(3-trimethylsilylprop-2-ynyl)propanedioate is CCOC(=O)C(CC#C[Si](C)(C)C)(C(=O)OCC)C(C)/C=C/C1CC1.
What is the InChIKey of diethyl 2-[(E)-4-cyclopropylbut-3-en-2-yl]-2-(3-trimethylsilylprop-2-ynyl)propanedioate?
The InChIKey is JMTHWTYFUISVOO-ZHACJKMWSA-N. The full InChI is InChI=1S/C20H32O4Si/c1-7-23-18(21)20(19(22)24-8-2,14-9-15-25(4,5)6)16(3)10-11-17-12-13-17/h10-11,16-17H,7-8,12-14H2,1-6H3/b11-10+.
What are the key properties of diethyl 2-[(E)-4-cyclopropylbut-3-en-2-yl]-2-(3-trimethylsilylprop-2-ynyl)propanedioate?
diethyl 2-[(E)-4-cyclopropylbut-3-en-2-yl]-2-(3-trimethylsilylprop-2-ynyl)propanedioate has a molecular weight of 364.56 g/mol, XLogP of 3.97, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-[(E)-4-cyclopropylbut-3-en-2-yl]-2-(3-trimethylsilylprop-2-ynyl)propanedioate is sourced from PubChem (CID 24808269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).