diethyl 2-prop-2-ynyl-2-[(E)-3-trimethylsilylprop-2-enyl]propanedioate

C16H26O4Si — CID 134887095

IUPACdiethyl 2-prop-2-ynyl-2-[(E)-3-trimethylsilylprop-2-enyl]propanedioate
SMILESC#CCC(C/C=C/[Si](C)(C)C)(C(=O)OCC)C(=O)OCC
InChIInChI=1S/C16H26O4Si/c1-7-11-16(14(17)19-8-2,15(18)20-9-3)12-10-13-21(4,5)6/h1,10,13H,8-9,11-12H2,2-6H3/b13-10+
InChIKeyHCULAIROMKZMDN-JLHYYAGUSA-N
MW310.47 g/mol
LogP2.95
Rot. Bonds8

About diethyl 2-prop-2-ynyl-2-[(E)-3-trimethylsilylprop-2-enyl]propanedioate

diethyl 2-prop-2-ynyl-2-[(E)-3-trimethylsilylprop-2-enyl]propanedioate (PubChem CID 134887095) has the molecular formula C16H26O4Si and a molecular weight of 310.47 g/mol. Its IUPAC name is diethyl 2-prop-2-ynyl-2-[(E)-3-trimethylsilylprop-2-enyl]propanedioate.

Molecular Properties

Compound Namediethyl 2-prop-2-ynyl-2-[(E)-3-trimethylsilylprop-2-enyl]propanedioate
PubChem CID134887095
Molecular FormulaC16H26O4Si
Molecular Weight310.47 g/mol
Exact Mass310.16
IUPAC Namediethyl 2-prop-2-ynyl-2-[(E)-3-trimethylsilylprop-2-enyl]propanedioate
SMILESC#CCC(C/C=C/[Si](C)(C)C)(C(=O)OCC)C(=O)OCC
InChIInChI=1S/C16H26O4Si/c1-7-11-16(14(17)19-8-2,15(18)20-9-3)12-10-13-21(4,5)6/h1,10,13H,8-9,11-12H2,2-6H3/b13-10+
InChIKeyHCULAIROMKZMDN-JLHYYAGUSA-N
XLogP2.95
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.47
LogP ≤ 52.95
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-ynyl-2-prop-2-enylpropanedioate
CID 10264215
Diethyl 2-(3,3-difluoroprop-2-enyl)-2-(3-trimethylsilylprop-2-ynyl)propanedioate
CID 49855548
Diethyl 2-oct-2-ynyl-2-prop-2-enylpropanedioate
CID 11150980
diethyl 2-[(E)-hex-2-enyl]-2-prop-2-ynylpropanedioate
CID 101198582
Dimethyl 2-(2-methylbut-3-enyl)-2-(3-trimethylsilylprop-2-ynyl)propanedioate
CID 102377340
Diethyl 2-pent-2-ynyl-2-prop-2-enylpropanedioate
CID 10880020
Diethyl 2-allyl-2-(prop-2-ynyl)malonate
CID 10988319
Diethyl 2-hept-2-ynyl-2-prop-2-enylpropanedioate
CID 11695018
diethyl 2-[(E)-but-2-enyl]-2-prop-2-ynylpropanedioate
CID 23246569
Diethyl 2-[4,4-difluoro-2-tri(propan-2-yl)silylbuta-2,3-dienyl]-2-prop-2-enylpropanedioate
CID 101186854
Diethyl 2-[4,4-difluoro-2-tri(propan-2-yl)silylbuta-2,3-dienyl]-2-prop-2-ynylpropanedioate
CID 101186855
Diethyl 2-(4-methoxybut-2-ynyl)-2-prop-2-enylpropanedioate
CID 10989676

Frequently Asked Questions

What is the IUPAC name of diethyl 2-prop-2-ynyl-2-[(E)-3-trimethylsilylprop-2-enyl]propanedioate?
The IUPAC name of diethyl 2-prop-2-ynyl-2-[(E)-3-trimethylsilylprop-2-enyl]propanedioate (CID 134887095) is diethyl 2-prop-2-ynyl-2-[(E)-3-trimethylsilylprop-2-enyl]propanedioate.
What is the SMILES notation for diethyl 2-prop-2-ynyl-2-[(E)-3-trimethylsilylprop-2-enyl]propanedioate?
The canonical SMILES for diethyl 2-prop-2-ynyl-2-[(E)-3-trimethylsilylprop-2-enyl]propanedioate is C#CCC(C/C=C/[Si](C)(C)C)(C(=O)OCC)C(=O)OCC.
What is the InChIKey of diethyl 2-prop-2-ynyl-2-[(E)-3-trimethylsilylprop-2-enyl]propanedioate?
The InChIKey is HCULAIROMKZMDN-JLHYYAGUSA-N. The full InChI is InChI=1S/C16H26O4Si/c1-7-11-16(14(17)19-8-2,15(18)20-9-3)12-10-13-21(4,5)6/h1,10,13H,8-9,11-12H2,2-6H3/b13-10+.
What are the key properties of diethyl 2-prop-2-ynyl-2-[(E)-3-trimethylsilylprop-2-enyl]propanedioate?
diethyl 2-prop-2-ynyl-2-[(E)-3-trimethylsilylprop-2-enyl]propanedioate has a molecular weight of 310.47 g/mol, XLogP of 2.95, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-prop-2-ynyl-2-[(E)-3-trimethylsilylprop-2-enyl]propanedioate is sourced from PubChem (CID 134887095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).