tris(trimethylsilyl) propane-1,2,3-tricarboxylate

C15H32O6Si3 — CID 530425

IUPACtris(trimethylsilyl) propane-1,2,3-tricarboxylate
SMILESC[Si](C)(C)OC(=O)CC(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C15H32O6Si3/c1-22(2,3)19-13(16)10-12(15(18)21-24(7,8)9)11-14(17)20-23(4,5)6/h12H,10-11H2,1-9H3
InChIKeyVEXAYJWEIRRBOE-UHFFFAOYSA-N
MW392.67 g/mol
LogP3.52
Rot. Bonds8

About tris(trimethylsilyl) propane-1,2,3-tricarboxylate

tris(trimethylsilyl) propane-1,2,3-tricarboxylate (PubChem CID 530425) has the molecular formula C15H32O6Si3 and a molecular weight of 392.67 g/mol. Its IUPAC name is tris(trimethylsilyl) propane-1,2,3-tricarboxylate.

Molecular Properties

Compound Nametris(trimethylsilyl) propane-1,2,3-tricarboxylate
PubChem CID530425
Molecular FormulaC15H32O6Si3
Molecular Weight392.67 g/mol
Exact Mass392.15
IUPAC Nametris(trimethylsilyl) propane-1,2,3-tricarboxylate
SMILESC[Si](C)(C)OC(=O)CC(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C15H32O6Si3/c1-22(2,3)19-13(16)10-12(15(18)21-24(7,8)9)11-14(17)20-23(4,5)6/h12H,10-11H2,1-9H3
InChIKeyVEXAYJWEIRRBOE-UHFFFAOYSA-N
XLogP3.52
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.67
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Pentanedioic acid, 3-methyl-, bis(trimethylsilyl) ester
CID 521632
Pentanedioic acid, 2-methyl-, bis(trimethylsilyl) ester
CID 521643
Pentanedioic acid, 3-methyl-, bis(tert-butyldimethylsilyl) ester
CID 552443
METHYLCITRIC ACID (I) diTMS
CID 91749483
3-acetyl pentanedioic acid, TMS ester
CID 91749506
3-isopropyl pentanedioic acid, TMS ester
CID 91749507
Methylcitric acid, TBDMS # 1
CID 91752642
Glutaric acid, 3-ethyl-, bis(trimethylsilyl) ester
CID 553042
3-[2-[Methyl-bis(trimethylsilyloxy)silyl]ethyl]pentanedioic acid
CID 59128078
3-[2-[[Dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]ethyl]pentanedioic acid
CID 59128082
3-[2-[Dimethyl(trimethylsilyloxy)silyl]ethyl]pentanedioic acid;methane
CID 157600564

Frequently Asked Questions

What is the IUPAC name of tris(trimethylsilyl) propane-1,2,3-tricarboxylate?
The IUPAC name of tris(trimethylsilyl) propane-1,2,3-tricarboxylate (CID 530425) is tris(trimethylsilyl) propane-1,2,3-tricarboxylate.
What is the SMILES notation for tris(trimethylsilyl) propane-1,2,3-tricarboxylate?
The canonical SMILES for tris(trimethylsilyl) propane-1,2,3-tricarboxylate is C[Si](C)(C)OC(=O)CC(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C.
What is the InChIKey of tris(trimethylsilyl) propane-1,2,3-tricarboxylate?
The InChIKey is VEXAYJWEIRRBOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O6Si3/c1-22(2,3)19-13(16)10-12(15(18)21-24(7,8)9)11-14(17)20-23(4,5)6/h12H,10-11H2,1-9H3.
What are the key properties of tris(trimethylsilyl) propane-1,2,3-tricarboxylate?
tris(trimethylsilyl) propane-1,2,3-tricarboxylate has a molecular weight of 392.67 g/mol, XLogP of 3.52, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tris(trimethylsilyl) propane-1,2,3-tricarboxylate is sourced from PubChem (CID 530425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).