5-O-ethyl 1-O,3-O-dimethyl 1,3-bis(trimethylsilyl)pentane-1,3,5-tricarboxylate

C18H36O6Si2 — CID 14531359

IUPAC5-O-ethyl 1-O,3-O-dimethyl 1,3-bis(trimethylsilyl)pentane-1,3,5-tricarboxylate
SMILESCCOC(=O)CCC(CC(C(=O)OC)[Si](C)(C)C)(C(=O)OC)[Si](C)(C)C
InChIInChI=1S/C18H36O6Si2/c1-10-24-15(19)11-12-18(17(21)23-3,26(7,8)9)13-14(16(20)22-2)25(4,5)6/h14H,10-13H2,1-9H3
InChIKeyXLFVJPAVLVEFCV-UHFFFAOYSA-N
MW404.65 g/mol
LogP3.85
Rot. Bonds10

About 5-O-ethyl 1-O,3-O-dimethyl 1,3-bis(trimethylsilyl)pentane-1,3,5-tricarboxylate

5-O-ethyl 1-O,3-O-dimethyl 1,3-bis(trimethylsilyl)pentane-1,3,5-tricarboxylate (PubChem CID 14531359) has the molecular formula C18H36O6Si2 and a molecular weight of 404.65 g/mol. Its IUPAC name is 5-O-ethyl 1-O,3-O-dimethyl 1,3-bis(trimethylsilyl)pentane-1,3,5-tricarboxylate.

Molecular Properties

Compound Name5-O-ethyl 1-O,3-O-dimethyl 1,3-bis(trimethylsilyl)pentane-1,3,5-tricarboxylate
PubChem CID14531359
Molecular FormulaC18H36O6Si2
Molecular Weight404.65 g/mol
Exact Mass404.21
IUPAC Name5-O-ethyl 1-O,3-O-dimethyl 1,3-bis(trimethylsilyl)pentane-1,3,5-tricarboxylate
SMILESCCOC(=O)CCC(CC(C(=O)OC)[Si](C)(C)C)(C(=O)OC)[Si](C)(C)C
InChIInChI=1S/C18H36O6Si2/c1-10-24-15(19)11-12-18(17(21)23-3,26(7,8)9)13-14(16(20)22-2)25(4,5)6/h14H,10-13H2,1-9H3
InChIKeyXLFVJPAVLVEFCV-UHFFFAOYSA-N
XLogP3.85
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.65
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 5-O-ethyl 1-O,3-O-dimethyl 1,3-bis(trimethylsilyl)pentane-1,3,5-tricarboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-O-ethyl 1-O,3-O-dimethyl 1,3-bis(trimethylsilyl)pentane-1,3,5-tricarboxylate?
The IUPAC name of 5-O-ethyl 1-O,3-O-dimethyl 1,3-bis(trimethylsilyl)pentane-1,3,5-tricarboxylate (CID 14531359) is 5-O-ethyl 1-O,3-O-dimethyl 1,3-bis(trimethylsilyl)pentane-1,3,5-tricarboxylate.
What is the SMILES notation for 5-O-ethyl 1-O,3-O-dimethyl 1,3-bis(trimethylsilyl)pentane-1,3,5-tricarboxylate?
The canonical SMILES for 5-O-ethyl 1-O,3-O-dimethyl 1,3-bis(trimethylsilyl)pentane-1,3,5-tricarboxylate is CCOC(=O)CCC(CC(C(=O)OC)[Si](C)(C)C)(C(=O)OC)[Si](C)(C)C.
What is the InChIKey of 5-O-ethyl 1-O,3-O-dimethyl 1,3-bis(trimethylsilyl)pentane-1,3,5-tricarboxylate?
The InChIKey is XLFVJPAVLVEFCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O6Si2/c1-10-24-15(19)11-12-18(17(21)23-3,26(7,8)9)13-14(16(20)22-2)25(4,5)6/h14H,10-13H2,1-9H3.
What are the key properties of 5-O-ethyl 1-O,3-O-dimethyl 1,3-bis(trimethylsilyl)pentane-1,3,5-tricarboxylate?
5-O-ethyl 1-O,3-O-dimethyl 1,3-bis(trimethylsilyl)pentane-1,3,5-tricarboxylate has a molecular weight of 404.65 g/mol, XLogP of 3.85, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-O-ethyl 1-O,3-O-dimethyl 1,3-bis(trimethylsilyl)pentane-1,3,5-tricarboxylate is sourced from PubChem (CID 14531359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).