2-O-ethyl 1-O,3-O-bis(trimethylsilyl) 2-trimethylsilyloxypropane-1,2,3-tricarboxylate

C17H36O7Si3 — CID 553684

IUPAC2-O-ethyl 1-O,3-O-bis(trimethylsilyl) 2-trimethylsilyloxypropane-1,2,3-tricarboxylate
SMILESCCOC(=O)C(CC(=O)O[Si](C)(C)C)(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C17H36O7Si3/c1-11-21-16(20)17(24-27(8,9)10,12-14(18)22-25(2,3)4)13-15(19)23-26(5,6)7/h11-13H2,1-10H3
InChIKeyVMMOSKOGLTUYNK-UHFFFAOYSA-N
MW436.73 g/mol
LogP3.68
Rot. Bonds10

About 2-O-ethyl 1-O,3-O-bis(trimethylsilyl) 2-trimethylsilyloxypropane-1,2,3-tricarboxylate

2-O-ethyl 1-O,3-O-bis(trimethylsilyl) 2-trimethylsilyloxypropane-1,2,3-tricarboxylate (PubChem CID 553684) has the molecular formula C17H36O7Si3 and a molecular weight of 436.73 g/mol. Its IUPAC name is 2-O-ethyl 1-O,3-O-bis(trimethylsilyl) 2-trimethylsilyloxypropane-1,2,3-tricarboxylate.

Molecular Properties

Compound Name2-O-ethyl 1-O,3-O-bis(trimethylsilyl) 2-trimethylsilyloxypropane-1,2,3-tricarboxylate
PubChem CID553684
Molecular FormulaC17H36O7Si3
Molecular Weight436.73 g/mol
Exact Mass436.18
IUPAC Name2-O-ethyl 1-O,3-O-bis(trimethylsilyl) 2-trimethylsilyloxypropane-1,2,3-tricarboxylate
SMILESCCOC(=O)C(CC(=O)O[Si](C)(C)C)(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C17H36O7Si3/c1-11-21-16(20)17(24-27(8,9)10,12-14(18)22-25(2,3)4)13-15(19)23-26(5,6)7/h11-13H2,1-10H3
InChIKeyVMMOSKOGLTUYNK-UHFFFAOYSA-N
XLogP3.68
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.73
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

Acetyl Tributyl Citrate
CID 6505
1,2,3-Propanetricarboxylic acid, 2-[(trimethylsilyl)oxy]-, tris(trimethylsilyl) ester
CID 553132
2-C-Methylribonic acid, 1,4-lactone, TMS
CID 91064241
Methyl [(isopropoxycarbonyl)disulfanyl]acetate
CID 523775
1,2,3-Propanetricarboxylic acid, 2-[(tert-butyldimethylsilyl)oxy]-, tris(tert-butyldimethylsilyl) ester
CID 528571
1,2,3-Propanetricarboxylic acid, 1-[(trimethylsilyl)oxy]-, tris(trimethylsilyl) ester
CID 528659
Methylcitric acid, tetrakis(trimethylsilyl) deriv.
CID 530815
Ribonic acid, 2-C-methyl-2,3,4,5-tetrakis-O-(trimethylsilyl)-, trimethylsilyl ester
CID 552768
Isocitric lactone acid, bis(trimethylsilyl) ester
CID 553088
Erythro-Pentonic acid, 3-deoxy-2,4,5-tris-O-(trimethylsilyl)-2-C-[[(trimethylsilyl)oxy]methyl]-, trimethylsilyl ester
CID 553971
Isocitric acid lactone, 2TBDMS derivative
CID 91696982
Trimethyl 2-trimethylsilyloxypropane-1,2,3-tricarboxylate
CID 611963

Frequently Asked Questions

What is the IUPAC name of 2-O-ethyl 1-O,3-O-bis(trimethylsilyl) 2-trimethylsilyloxypropane-1,2,3-tricarboxylate?
The IUPAC name of 2-O-ethyl 1-O,3-O-bis(trimethylsilyl) 2-trimethylsilyloxypropane-1,2,3-tricarboxylate (CID 553684) is 2-O-ethyl 1-O,3-O-bis(trimethylsilyl) 2-trimethylsilyloxypropane-1,2,3-tricarboxylate.
What is the SMILES notation for 2-O-ethyl 1-O,3-O-bis(trimethylsilyl) 2-trimethylsilyloxypropane-1,2,3-tricarboxylate?
The canonical SMILES for 2-O-ethyl 1-O,3-O-bis(trimethylsilyl) 2-trimethylsilyloxypropane-1,2,3-tricarboxylate is CCOC(=O)C(CC(=O)O[Si](C)(C)C)(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of 2-O-ethyl 1-O,3-O-bis(trimethylsilyl) 2-trimethylsilyloxypropane-1,2,3-tricarboxylate?
The InChIKey is VMMOSKOGLTUYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36O7Si3/c1-11-21-16(20)17(24-27(8,9)10,12-14(18)22-25(2,3)4)13-15(19)23-26(5,6)7/h11-13H2,1-10H3.
What are the key properties of 2-O-ethyl 1-O,3-O-bis(trimethylsilyl) 2-trimethylsilyloxypropane-1,2,3-tricarboxylate?
2-O-ethyl 1-O,3-O-bis(trimethylsilyl) 2-trimethylsilyloxypropane-1,2,3-tricarboxylate has a molecular weight of 436.73 g/mol, XLogP of 3.68, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-O-ethyl 1-O,3-O-bis(trimethylsilyl) 2-trimethylsilyloxypropane-1,2,3-tricarboxylate is sourced from PubChem (CID 553684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).