diethyl 2-[1-[3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]propyl]propanedioate

C21H40O5Si — CID 19904701

IUPACdiethyl 2-[1-[3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]propyl]propanedioate
SMILESCCOC(=O)C(C(=O)OCC)C(CC)C1CCC(O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C21H40O5Si/c1-9-17(18(19(22)24-10-2)20(23)25-11-3)15-12-13-16(14-15)26-27(7,8)21(4,5)6/h15-18H,9-14H2,1-8H3
InChIKeyIGSHHDFXSLSEDD-UHFFFAOYSA-N
MW400.63 g/mol
LogP4.95
Rot. Bonds9

About diethyl 2-[1-[3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]propyl]propanedioate

diethyl 2-[1-[3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]propyl]propanedioate (PubChem CID 19904701) has the molecular formula C21H40O5Si and a molecular weight of 400.63 g/mol. Its IUPAC name is diethyl 2-[1-[3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]propyl]propanedioate.

Molecular Properties

Compound Namediethyl 2-[1-[3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]propyl]propanedioate
PubChem CID19904701
Molecular FormulaC21H40O5Si
Molecular Weight400.63 g/mol
Exact Mass400.26
IUPAC Namediethyl 2-[1-[3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]propyl]propanedioate
SMILESCCOC(=O)C(C(=O)OCC)C(CC)C1CCC(O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C21H40O5Si/c1-9-17(18(19(22)24-10-2)20(23)25-11-3)15-12-13-16(14-15)26-27(7,8)21(4,5)6/h15-18H,9-14H2,1-8H3
InChIKeyIGSHHDFXSLSEDD-UHFFFAOYSA-N
XLogP4.95
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.63
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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 diethyl 2-[1-[3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]propyl]propanedioate?
The IUPAC name of diethyl 2-[1-[3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]propyl]propanedioate (CID 19904701) is diethyl 2-[1-[3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]propyl]propanedioate.
What is the SMILES notation for diethyl 2-[1-[3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]propyl]propanedioate?
The canonical SMILES for diethyl 2-[1-[3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]propyl]propanedioate is CCOC(=O)C(C(=O)OCC)C(CC)C1CCC(O[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of diethyl 2-[1-[3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]propyl]propanedioate?
The InChIKey is IGSHHDFXSLSEDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40O5Si/c1-9-17(18(19(22)24-10-2)20(23)25-11-3)15-12-13-16(14-15)26-27(7,8)21(4,5)6/h15-18H,9-14H2,1-8H3.
What are the key properties of diethyl 2-[1-[3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]propyl]propanedioate?
diethyl 2-[1-[3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]propyl]propanedioate has a molecular weight of 400.63 g/mol, XLogP of 4.95, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-[1-[3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]propyl]propanedioate is sourced from PubChem (CID 19904701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).