diethyl 2-[(E)-5-methoxy-4-methyl-3-oxopent-4-en-2-yl]-2-trimethylsilyloxypropanedioate

C17H30O7Si — CID 10761963

IUPACdiethyl 2-[(E)-5-methoxy-4-methyl-3-oxopent-4-en-2-yl]-2-trimethylsilyloxypropanedioate
SMILESCCOC(=O)C(O[Si](C)(C)C)(C(=O)OCC)C(C)C(=O)/C(C)=C/OC
InChIInChI=1S/C17H30O7Si/c1-9-22-15(19)17(16(20)23-10-2,24-25(6,7)8)13(4)14(18)12(3)11-21-5/h11,13H,9-10H2,1-8H3/b12-11+
InChIKeyGBTDSHRWLTYIKE-VAWYXSNFSA-N
MW374.51 g/mol
LogP2.46
Rot. Bonds10

About diethyl 2-[(E)-5-methoxy-4-methyl-3-oxopent-4-en-2-yl]-2-trimethylsilyloxypropanedioate

diethyl 2-[(E)-5-methoxy-4-methyl-3-oxopent-4-en-2-yl]-2-trimethylsilyloxypropanedioate (PubChem CID 10761963) has the molecular formula C17H30O7Si and a molecular weight of 374.51 g/mol. Its IUPAC name is diethyl 2-[(E)-5-methoxy-4-methyl-3-oxopent-4-en-2-yl]-2-trimethylsilyloxypropanedioate.

Molecular Properties

Compound Namediethyl 2-[(E)-5-methoxy-4-methyl-3-oxopent-4-en-2-yl]-2-trimethylsilyloxypropanedioate
PubChem CID10761963
Molecular FormulaC17H30O7Si
Molecular Weight374.51 g/mol
Exact Mass374.18
IUPAC Namediethyl 2-[(E)-5-methoxy-4-methyl-3-oxopent-4-en-2-yl]-2-trimethylsilyloxypropanedioate
SMILESCCOC(=O)C(O[Si](C)(C)C)(C(=O)OCC)C(C)C(=O)/C(C)=C/OC
InChIInChI=1S/C17H30O7Si/c1-9-22-15(19)17(16(20)23-10-2,24-25(6,7)8)13(4)14(18)12(3)11-21-5/h11,13H,9-10H2,1-8H3/b12-11+
InChIKeyGBTDSHRWLTYIKE-VAWYXSNFSA-N
XLogP2.46
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 ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of diethyl 2-[(E)-5-methoxy-4-methyl-3-oxopent-4-en-2-yl]-2-trimethylsilyloxypropanedioate?
The IUPAC name of diethyl 2-[(E)-5-methoxy-4-methyl-3-oxopent-4-en-2-yl]-2-trimethylsilyloxypropanedioate (CID 10761963) is diethyl 2-[(E)-5-methoxy-4-methyl-3-oxopent-4-en-2-yl]-2-trimethylsilyloxypropanedioate.
What is the SMILES notation for diethyl 2-[(E)-5-methoxy-4-methyl-3-oxopent-4-en-2-yl]-2-trimethylsilyloxypropanedioate?
The canonical SMILES for diethyl 2-[(E)-5-methoxy-4-methyl-3-oxopent-4-en-2-yl]-2-trimethylsilyloxypropanedioate is CCOC(=O)C(O[Si](C)(C)C)(C(=O)OCC)C(C)C(=O)/C(C)=C/OC.
What is the InChIKey of diethyl 2-[(E)-5-methoxy-4-methyl-3-oxopent-4-en-2-yl]-2-trimethylsilyloxypropanedioate?
The InChIKey is GBTDSHRWLTYIKE-VAWYXSNFSA-N. The full InChI is InChI=1S/C17H30O7Si/c1-9-22-15(19)17(16(20)23-10-2,24-25(6,7)8)13(4)14(18)12(3)11-21-5/h11,13H,9-10H2,1-8H3/b12-11+.
What are the key properties of diethyl 2-[(E)-5-methoxy-4-methyl-3-oxopent-4-en-2-yl]-2-trimethylsilyloxypropanedioate?
diethyl 2-[(E)-5-methoxy-4-methyl-3-oxopent-4-en-2-yl]-2-trimethylsilyloxypropanedioate has a molecular weight of 374.51 g/mol, XLogP of 2.46, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-[(E)-5-methoxy-4-methyl-3-oxopent-4-en-2-yl]-2-trimethylsilyloxypropanedioate is sourced from PubChem (CID 10761963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).