dimethyl 2-[(E)-4-hydroxy-2-triethylsilylbut-2-enyl]propanedioate

C15H28O5Si — CID 10980034

IUPACdimethyl 2-[(E)-4-hydroxy-2-triethylsilylbut-2-enyl]propanedioate
SMILESCC[Si](CC)(CC)/C(=C/CO)CC(C(=O)OC)C(=O)OC
InChIInChI=1S/C15H28O5Si/c1-6-21(7-2,8-3)12(9-10-16)11-13(14(17)19-4)15(18)20-5/h9,13,16H,6-8,10-11H2,1-5H3/b12-9+
InChIKeyIPOYXWMHTGGNGI-FMIVXFBMSA-N
MW316.47 g/mol
LogP2.31
Rot. Bonds9

About dimethyl 2-[(E)-4-hydroxy-2-triethylsilylbut-2-enyl]propanedioate

dimethyl 2-[(E)-4-hydroxy-2-triethylsilylbut-2-enyl]propanedioate (PubChem CID 10980034) has the molecular formula C15H28O5Si and a molecular weight of 316.47 g/mol. Its IUPAC name is dimethyl 2-[(E)-4-hydroxy-2-triethylsilylbut-2-enyl]propanedioate.

Molecular Properties

Compound Namedimethyl 2-[(E)-4-hydroxy-2-triethylsilylbut-2-enyl]propanedioate
PubChem CID10980034
Molecular FormulaC15H28O5Si
Molecular Weight316.47 g/mol
Exact Mass316.17
IUPAC Namedimethyl 2-[(E)-4-hydroxy-2-triethylsilylbut-2-enyl]propanedioate
SMILESCC[Si](CC)(CC)/C(=C/CO)CC(C(=O)OC)C(=O)OC
InChIInChI=1S/C15H28O5Si/c1-6-21(7-2,8-3)12(9-10-16)11-13(14(17)19-4)15(18)20-5/h9,13,16H,6-8,10-11H2,1-5H3/b12-9+
InChIKeyIPOYXWMHTGGNGI-FMIVXFBMSA-N
XLogP2.31
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dimethyl 2-[(E)-4-hydroxy-2-triethylsilylbut-2-enyl]propanedioate?
The IUPAC name of dimethyl 2-[(E)-4-hydroxy-2-triethylsilylbut-2-enyl]propanedioate (CID 10980034) is dimethyl 2-[(E)-4-hydroxy-2-triethylsilylbut-2-enyl]propanedioate.
What is the SMILES notation for dimethyl 2-[(E)-4-hydroxy-2-triethylsilylbut-2-enyl]propanedioate?
The canonical SMILES for dimethyl 2-[(E)-4-hydroxy-2-triethylsilylbut-2-enyl]propanedioate is CC[Si](CC)(CC)/C(=C/CO)CC(C(=O)OC)C(=O)OC.
What is the InChIKey of dimethyl 2-[(E)-4-hydroxy-2-triethylsilylbut-2-enyl]propanedioate?
The InChIKey is IPOYXWMHTGGNGI-FMIVXFBMSA-N. The full InChI is InChI=1S/C15H28O5Si/c1-6-21(7-2,8-3)12(9-10-16)11-13(14(17)19-4)15(18)20-5/h9,13,16H,6-8,10-11H2,1-5H3/b12-9+.
What are the key properties of dimethyl 2-[(E)-4-hydroxy-2-triethylsilylbut-2-enyl]propanedioate?
dimethyl 2-[(E)-4-hydroxy-2-triethylsilylbut-2-enyl]propanedioate has a molecular weight of 316.47 g/mol, XLogP of 2.31, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-[(E)-4-hydroxy-2-triethylsilylbut-2-enyl]propanedioate is sourced from PubChem (CID 10980034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).