diethyl 2-(3-trimethylsilylprop-2-ynyl)propanedioate

C13H22O4Si — CID 11460565

IUPACdiethyl 2-(3-trimethylsilylprop-2-ynyl)propanedioate
SMILESCCOC(=O)C(CC#C[Si](C)(C)C)C(=O)OCC
InChIInChI=1S/C13H22O4Si/c1-6-16-12(14)11(13(15)17-7-2)9-8-10-18(3,4)5/h11H,6-7,9H2,1-5H3
InChIKeyBGIIVPNZHFYFGU-UHFFFAOYSA-N
MW270.40 g/mol
LogP2.00
Rot. Bonds5

About diethyl 2-(3-trimethylsilylprop-2-ynyl)propanedioate

diethyl 2-(3-trimethylsilylprop-2-ynyl)propanedioate (PubChem CID 11460565) has the molecular formula C13H22O4Si and a molecular weight of 270.40 g/mol. Its IUPAC name is diethyl 2-(3-trimethylsilylprop-2-ynyl)propanedioate.

Molecular Properties

Compound Namediethyl 2-(3-trimethylsilylprop-2-ynyl)propanedioate
PubChem CID11460565
Molecular FormulaC13H22O4Si
Molecular Weight270.40 g/mol
Exact Mass270.13
IUPAC Namediethyl 2-(3-trimethylsilylprop-2-ynyl)propanedioate
SMILESCCOC(=O)C(CC#C[Si](C)(C)C)C(=O)OCC
InChIInChI=1S/C13H22O4Si/c1-6-16-12(14)11(13(15)17-7-2)9-8-10-18(3,4)5/h11H,6-7,9H2,1-5H3
InChIKeyBGIIVPNZHFYFGU-UHFFFAOYSA-N
XLogP2.00
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 52.00
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': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

diethyl 2-but-2-ynylpropanedioate
CID 79460235
diethyl 2,7-diacetyloct-4-ynedioate
CID 19777474
tetraethyl (1,3-13C2)propane-1,1,3,3-tetracarboxylate
CID 76973343
5-trimethylsilylpent-4-yn-2-ol
CID 11073669
diethyl 2-(iodomethyl)propanedioate
CID 71339629
diethyl 2-[[2-(2-trimethylsilylethynyl)phenyl]methyl]propanedioate
CID 57409375
diethyl 2-hex-3-ynylpropanedioate
CID 57494783
ethyl 1-trimethylsilylhept-1-yn-3-yl carbonate
CID 10988906
diethyl 2-(12-trimethylsilyldodecyl)propanedioate
CID 86200825
1-O-ethyl 3-O-methyl (2S)-2-ethylpropanedioate
CID 34173637
diethyl 2-(2-bromoethyl)propanedioate
CID 19738440
ethyl 8-trimethylsilylocta-2,3-dien-7-ynyl carbonate
CID 15459007

Frequently Asked Questions

What is the IUPAC name of diethyl 2-(3-trimethylsilylprop-2-ynyl)propanedioate?
The IUPAC name of diethyl 2-(3-trimethylsilylprop-2-ynyl)propanedioate (CID 11460565) is diethyl 2-(3-trimethylsilylprop-2-ynyl)propanedioate.
What is the SMILES notation for diethyl 2-(3-trimethylsilylprop-2-ynyl)propanedioate?
The canonical SMILES for diethyl 2-(3-trimethylsilylprop-2-ynyl)propanedioate is CCOC(=O)C(CC#C[Si](C)(C)C)C(=O)OCC.
What is the InChIKey of diethyl 2-(3-trimethylsilylprop-2-ynyl)propanedioate?
The InChIKey is BGIIVPNZHFYFGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O4Si/c1-6-16-12(14)11(13(15)17-7-2)9-8-10-18(3,4)5/h11H,6-7,9H2,1-5H3.
What are the key properties of diethyl 2-(3-trimethylsilylprop-2-ynyl)propanedioate?
diethyl 2-(3-trimethylsilylprop-2-ynyl)propanedioate has a molecular weight of 270.40 g/mol, XLogP of 2.00, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-(3-trimethylsilylprop-2-ynyl)propanedioate is sourced from PubChem (CID 11460565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).