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

C17H30O7Si — CID 10992391

IUPACdimethyl 2-[(E)-4-methoxycarbonyloxy-2-triethylsilylbut-2-enyl]propanedioate
SMILESCC[Si](CC)(CC)/C(=C/COC(=O)OC)CC(C(=O)OC)C(=O)OC
InChIInChI=1S/C17H30O7Si/c1-7-25(8-2,9-3)13(10-11-24-17(20)23-6)12-14(15(18)21-4)16(19)22-5/h10,14H,7-9,11-12H2,1-6H3/b13-10+
InChIKeyBUSHUASTSIXLQR-JLHYYAGUSA-N
MW374.51 g/mol
LogP3.10
Rot. Bonds10

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

dimethyl 2-[(E)-4-methoxycarbonyloxy-2-triethylsilylbut-2-enyl]propanedioate (PubChem CID 10992391) has the molecular formula C17H30O7Si and a molecular weight of 374.51 g/mol. Its IUPAC name is dimethyl 2-[(E)-4-methoxycarbonyloxy-2-triethylsilylbut-2-enyl]propanedioate.

Molecular Properties

Compound Namedimethyl 2-[(E)-4-methoxycarbonyloxy-2-triethylsilylbut-2-enyl]propanedioate
PubChem CID10992391
Molecular FormulaC17H30O7Si
Molecular Weight374.51 g/mol
Exact Mass374.18
IUPAC Namedimethyl 2-[(E)-4-methoxycarbonyloxy-2-triethylsilylbut-2-enyl]propanedioate
SMILESCC[Si](CC)(CC)/C(=C/COC(=O)OC)CC(C(=O)OC)C(=O)OC
InChIInChI=1S/C17H30O7Si/c1-7-25(8-2,9-3)13(10-11-24-17(20)23-6)12-14(15(18)21-4)16(19)22-5/h10,14H,7-9,11-12H2,1-6H3/b13-10+
InChIKeyBUSHUASTSIXLQR-JLHYYAGUSA-N
XLogP3.10
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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-methoxycarbonyloxy-2-triethylsilylbut-2-enyl]propanedioate?
The IUPAC name of dimethyl 2-[(E)-4-methoxycarbonyloxy-2-triethylsilylbut-2-enyl]propanedioate (CID 10992391) is dimethyl 2-[(E)-4-methoxycarbonyloxy-2-triethylsilylbut-2-enyl]propanedioate.
What is the SMILES notation for dimethyl 2-[(E)-4-methoxycarbonyloxy-2-triethylsilylbut-2-enyl]propanedioate?
The canonical SMILES for dimethyl 2-[(E)-4-methoxycarbonyloxy-2-triethylsilylbut-2-enyl]propanedioate is CC[Si](CC)(CC)/C(=C/COC(=O)OC)CC(C(=O)OC)C(=O)OC.
What is the InChIKey of dimethyl 2-[(E)-4-methoxycarbonyloxy-2-triethylsilylbut-2-enyl]propanedioate?
The InChIKey is BUSHUASTSIXLQR-JLHYYAGUSA-N. The full InChI is InChI=1S/C17H30O7Si/c1-7-25(8-2,9-3)13(10-11-24-17(20)23-6)12-14(15(18)21-4)16(19)22-5/h10,14H,7-9,11-12H2,1-6H3/b13-10+.
What are the key properties of dimethyl 2-[(E)-4-methoxycarbonyloxy-2-triethylsilylbut-2-enyl]propanedioate?
dimethyl 2-[(E)-4-methoxycarbonyloxy-2-triethylsilylbut-2-enyl]propanedioate has a molecular weight of 374.51 g/mol, XLogP of 3.10, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-[(E)-4-methoxycarbonyloxy-2-triethylsilylbut-2-enyl]propanedioate is sourced from PubChem (CID 10992391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).