diethyl 2-[(E)-1-triethylsilyloxypent-3-en-2-yl]-2-trimethylsilyloxypropanedioate

C21H42O6Si2 — CID 134944789

IUPACdiethyl 2-[(E)-1-triethylsilyloxypent-3-en-2-yl]-2-trimethylsilyloxypropanedioate
SMILESC/C=C/C(CO[Si](CC)(CC)CC)C(O[Si](C)(C)C)(C(=O)OCC)C(=O)OCC
InChIInChI=1S/C21H42O6Si2/c1-10-16-18(17-26-29(13-4,14-5)15-6)21(19(22)24-11-2,20(23)25-12-3)27-28(7,8)9/h10,16,18H,11-15,17H2,1-9H3/b16-10+
InChIKeyNEYKXNZEAXHTLR-MHWRWJLKSA-N
MW446.73 g/mol
LogP4.92
Rot. Bonds14

About diethyl 2-[(E)-1-triethylsilyloxypent-3-en-2-yl]-2-trimethylsilyloxypropanedioate

diethyl 2-[(E)-1-triethylsilyloxypent-3-en-2-yl]-2-trimethylsilyloxypropanedioate (PubChem CID 134944789) has the molecular formula C21H42O6Si2 and a molecular weight of 446.73 g/mol. Its IUPAC name is diethyl 2-[(E)-1-triethylsilyloxypent-3-en-2-yl]-2-trimethylsilyloxypropanedioate.

Molecular Properties

Compound Namediethyl 2-[(E)-1-triethylsilyloxypent-3-en-2-yl]-2-trimethylsilyloxypropanedioate
PubChem CID134944789
Molecular FormulaC21H42O6Si2
Molecular Weight446.73 g/mol
Exact Mass446.25
IUPAC Namediethyl 2-[(E)-1-triethylsilyloxypent-3-en-2-yl]-2-trimethylsilyloxypropanedioate
SMILESC/C=C/C(CO[Si](CC)(CC)CC)C(O[Si](C)(C)C)(C(=O)OCC)C(=O)OCC
InChIInChI=1S/C21H42O6Si2/c1-10-16-18(17-26-29(13-4,14-5)15-6)21(19(22)24-11-2,20(23)25-12-3)27-28(7,8)9/h10,16,18H,11-15,17H2,1-9H3/b16-10+
InChIKeyNEYKXNZEAXHTLR-MHWRWJLKSA-N
XLogP4.92
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.73
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diethyl 2-[(E)-1-triethylsilyloxypent-3-en-2-yl]-2-trimethylsilyloxypropanedioate?
The IUPAC name of diethyl 2-[(E)-1-triethylsilyloxypent-3-en-2-yl]-2-trimethylsilyloxypropanedioate (CID 134944789) is diethyl 2-[(E)-1-triethylsilyloxypent-3-en-2-yl]-2-trimethylsilyloxypropanedioate.
What is the SMILES notation for diethyl 2-[(E)-1-triethylsilyloxypent-3-en-2-yl]-2-trimethylsilyloxypropanedioate?
The canonical SMILES for diethyl 2-[(E)-1-triethylsilyloxypent-3-en-2-yl]-2-trimethylsilyloxypropanedioate is C/C=C/C(CO[Si](CC)(CC)CC)C(O[Si](C)(C)C)(C(=O)OCC)C(=O)OCC.
What is the InChIKey of diethyl 2-[(E)-1-triethylsilyloxypent-3-en-2-yl]-2-trimethylsilyloxypropanedioate?
The InChIKey is NEYKXNZEAXHTLR-MHWRWJLKSA-N. The full InChI is InChI=1S/C21H42O6Si2/c1-10-16-18(17-26-29(13-4,14-5)15-6)21(19(22)24-11-2,20(23)25-12-3)27-28(7,8)9/h10,16,18H,11-15,17H2,1-9H3/b16-10+.
What are the key properties of diethyl 2-[(E)-1-triethylsilyloxypent-3-en-2-yl]-2-trimethylsilyloxypropanedioate?
diethyl 2-[(E)-1-triethylsilyloxypent-3-en-2-yl]-2-trimethylsilyloxypropanedioate has a molecular weight of 446.73 g/mol, XLogP of 4.92, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-[(E)-1-triethylsilyloxypent-3-en-2-yl]-2-trimethylsilyloxypropanedioate is sourced from PubChem (CID 134944789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).