diethyl 2-(10-trimethylsilyldecyl)propanedioate

C20H40O4Si — CID 86200880

IUPACdiethyl 2-(10-trimethylsilyldecyl)propanedioate
SMILESCCOC(=O)C(CCCCCCCCCC[Si](C)(C)C)C(=O)OCC
InChIInChI=1S/C20H40O4Si/c1-6-23-19(21)18(20(22)24-7-2)16-14-12-10-8-9-11-13-15-17-25(3,4)5/h18H,6-17H2,1-5H3
InChIKeyQJBXVPSUGUMYGM-UHFFFAOYSA-N
MW372.62 g/mol
LogP5.58
Rot. Bonds15

About diethyl 2-(10-trimethylsilyldecyl)propanedioate

diethyl 2-(10-trimethylsilyldecyl)propanedioate (PubChem CID 86200880) has the molecular formula C20H40O4Si and a molecular weight of 372.62 g/mol. Its IUPAC name is diethyl 2-(10-trimethylsilyldecyl)propanedioate.

Molecular Properties

Compound Namediethyl 2-(10-trimethylsilyldecyl)propanedioate
PubChem CID86200880
Molecular FormulaC20H40O4Si
Molecular Weight372.62 g/mol
Exact Mass372.27
IUPAC Namediethyl 2-(10-trimethylsilyldecyl)propanedioate
SMILESCCOC(=O)C(CCCCCCCCCC[Si](C)(C)C)C(=O)OCC
InChIInChI=1S/C20H40O4Si/c1-6-23-19(21)18(20(22)24-7-2)16-14-12-10-8-9-11-13-15-17-25(3,4)5/h18H,6-17H2,1-5H3
InChIKeyQJBXVPSUGUMYGM-UHFFFAOYSA-N
XLogP5.58
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.62
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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'}

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Frequently Asked Questions

What is the IUPAC name of diethyl 2-(10-trimethylsilyldecyl)propanedioate?
The IUPAC name of diethyl 2-(10-trimethylsilyldecyl)propanedioate (CID 86200880) is diethyl 2-(10-trimethylsilyldecyl)propanedioate.
What is the SMILES notation for diethyl 2-(10-trimethylsilyldecyl)propanedioate?
The canonical SMILES for diethyl 2-(10-trimethylsilyldecyl)propanedioate is CCOC(=O)C(CCCCCCCCCC[Si](C)(C)C)C(=O)OCC.
What is the InChIKey of diethyl 2-(10-trimethylsilyldecyl)propanedioate?
The InChIKey is QJBXVPSUGUMYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40O4Si/c1-6-23-19(21)18(20(22)24-7-2)16-14-12-10-8-9-11-13-15-17-25(3,4)5/h18H,6-17H2,1-5H3.
What are the key properties of diethyl 2-(10-trimethylsilyldecyl)propanedioate?
diethyl 2-(10-trimethylsilyldecyl)propanedioate has a molecular weight of 372.62 g/mol, XLogP of 5.58, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-(10-trimethylsilyldecyl)propanedioate is sourced from PubChem (CID 86200880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).