diethyl 2-[(E)-7-[tert-butyl(dimethyl)silyl]oxyhept-2-en-4-yl]propanedioate

C20H38O5Si — CID 10715213

IUPACdiethyl 2-[(E)-7-[tert-butyl(dimethyl)silyl]oxyhept-2-en-4-yl]propanedioate
SMILESC/C=C/C(CCCO[Si](C)(C)C(C)(C)C)C(C(=O)OCC)C(=O)OCC
InChIInChI=1S/C20H38O5Si/c1-9-13-16(14-12-15-25-26(7,8)20(4,5)6)17(18(21)23-10-2)19(22)24-11-3/h9,13,16-17H,10-12,14-15H2,1-8H3/b13-9+
InChIKeyZOVYERHXSDEUJI-UKTHLTGXSA-N
MW386.61 g/mol
LogP4.72
Rot. Bonds11

About diethyl 2-[(E)-7-[tert-butyl(dimethyl)silyl]oxyhept-2-en-4-yl]propanedioate

diethyl 2-[(E)-7-[tert-butyl(dimethyl)silyl]oxyhept-2-en-4-yl]propanedioate (PubChem CID 10715213) has the molecular formula C20H38O5Si and a molecular weight of 386.61 g/mol. Its IUPAC name is diethyl 2-[(E)-7-[tert-butyl(dimethyl)silyl]oxyhept-2-en-4-yl]propanedioate.

Molecular Properties

Compound Namediethyl 2-[(E)-7-[tert-butyl(dimethyl)silyl]oxyhept-2-en-4-yl]propanedioate
PubChem CID10715213
Molecular FormulaC20H38O5Si
Molecular Weight386.61 g/mol
Exact Mass386.25
IUPAC Namediethyl 2-[(E)-7-[tert-butyl(dimethyl)silyl]oxyhept-2-en-4-yl]propanedioate
SMILESC/C=C/C(CCCO[Si](C)(C)C(C)(C)C)C(C(=O)OCC)C(=O)OCC
InChIInChI=1S/C20H38O5Si/c1-9-13-16(14-12-15-25-26(7,8)20(4,5)6)17(18(21)23-10-2)19(22)24-11-3/h9,13,16-17H,10-12,14-15H2,1-8H3/b13-9+
InChIKeyZOVYERHXSDEUJI-UKTHLTGXSA-N
XLogP4.72
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.61
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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)-7-[tert-butyl(dimethyl)silyl]oxyhept-2-en-4-yl]propanedioate?
The IUPAC name of diethyl 2-[(E)-7-[tert-butyl(dimethyl)silyl]oxyhept-2-en-4-yl]propanedioate (CID 10715213) is diethyl 2-[(E)-7-[tert-butyl(dimethyl)silyl]oxyhept-2-en-4-yl]propanedioate.
What is the SMILES notation for diethyl 2-[(E)-7-[tert-butyl(dimethyl)silyl]oxyhept-2-en-4-yl]propanedioate?
The canonical SMILES for diethyl 2-[(E)-7-[tert-butyl(dimethyl)silyl]oxyhept-2-en-4-yl]propanedioate is C/C=C/C(CCCO[Si](C)(C)C(C)(C)C)C(C(=O)OCC)C(=O)OCC.
What is the InChIKey of diethyl 2-[(E)-7-[tert-butyl(dimethyl)silyl]oxyhept-2-en-4-yl]propanedioate?
The InChIKey is ZOVYERHXSDEUJI-UKTHLTGXSA-N. The full InChI is InChI=1S/C20H38O5Si/c1-9-13-16(14-12-15-25-26(7,8)20(4,5)6)17(18(21)23-10-2)19(22)24-11-3/h9,13,16-17H,10-12,14-15H2,1-8H3/b13-9+.
What are the key properties of diethyl 2-[(E)-7-[tert-butyl(dimethyl)silyl]oxyhept-2-en-4-yl]propanedioate?
diethyl 2-[(E)-7-[tert-butyl(dimethyl)silyl]oxyhept-2-en-4-yl]propanedioate has a molecular weight of 386.61 g/mol, XLogP of 4.72, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-[(E)-7-[tert-butyl(dimethyl)silyl]oxyhept-2-en-4-yl]propanedioate is sourced from PubChem (CID 10715213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).