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

C17H30O6Si — CID 10882868

IUPACdimethyl 2-[(E)-4-acetyloxy-2-triethylsilylbut-2-enyl]propanedioate
SMILESCC[Si](CC)(CC)/C(=C/COC(C)=O)CC(C(=O)OC)C(=O)OC
InChIInChI=1S/C17H30O6Si/c1-7-24(8-2,9-3)14(10-11-23-13(4)18)12-15(16(19)21-5)17(20)22-6/h10,15H,7-9,11-12H2,1-6H3/b14-10+
InChIKeyCLHZIWCWDVETMJ-GXDHUFHOSA-N
MW358.51 g/mol
LogP2.88
Rot. Bonds10

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

dimethyl 2-[(E)-4-acetyloxy-2-triethylsilylbut-2-enyl]propanedioate (PubChem CID 10882868) has the molecular formula C17H30O6Si and a molecular weight of 358.51 g/mol. Its IUPAC name is dimethyl 2-[(E)-4-acetyloxy-2-triethylsilylbut-2-enyl]propanedioate.

Molecular Properties

Compound Namedimethyl 2-[(E)-4-acetyloxy-2-triethylsilylbut-2-enyl]propanedioate
PubChem CID10882868
Molecular FormulaC17H30O6Si
Molecular Weight358.51 g/mol
Exact Mass358.18
IUPAC Namedimethyl 2-[(E)-4-acetyloxy-2-triethylsilylbut-2-enyl]propanedioate
SMILESCC[Si](CC)(CC)/C(=C/COC(C)=O)CC(C(=O)OC)C(=O)OC
InChIInChI=1S/C17H30O6Si/c1-7-24(8-2,9-3)14(10-11-23-13(4)18)12-15(16(19)21-5)17(20)22-6/h10,15H,7-9,11-12H2,1-6H3/b14-10+
InChIKeyCLHZIWCWDVETMJ-GXDHUFHOSA-N
XLogP2.88
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'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-acetyloxy-2-triethylsilylbut-2-enyl]propanedioate?
The IUPAC name of dimethyl 2-[(E)-4-acetyloxy-2-triethylsilylbut-2-enyl]propanedioate (CID 10882868) is dimethyl 2-[(E)-4-acetyloxy-2-triethylsilylbut-2-enyl]propanedioate.
What is the SMILES notation for dimethyl 2-[(E)-4-acetyloxy-2-triethylsilylbut-2-enyl]propanedioate?
The canonical SMILES for dimethyl 2-[(E)-4-acetyloxy-2-triethylsilylbut-2-enyl]propanedioate is CC[Si](CC)(CC)/C(=C/COC(C)=O)CC(C(=O)OC)C(=O)OC.
What is the InChIKey of dimethyl 2-[(E)-4-acetyloxy-2-triethylsilylbut-2-enyl]propanedioate?
The InChIKey is CLHZIWCWDVETMJ-GXDHUFHOSA-N. The full InChI is InChI=1S/C17H30O6Si/c1-7-24(8-2,9-3)14(10-11-23-13(4)18)12-15(16(19)21-5)17(20)22-6/h10,15H,7-9,11-12H2,1-6H3/b14-10+.
What are the key properties of dimethyl 2-[(E)-4-acetyloxy-2-triethylsilylbut-2-enyl]propanedioate?
dimethyl 2-[(E)-4-acetyloxy-2-triethylsilylbut-2-enyl]propanedioate has a molecular weight of 358.51 g/mol, XLogP of 2.88, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-[(E)-4-acetyloxy-2-triethylsilylbut-2-enyl]propanedioate is sourced from PubChem (CID 10882868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).