3-[2-[methyl-bis(trimethylsilyloxy)silyl]ethyl]pentanedioic acid

C14H32O6Si3 — CID 59128078

IUPAC3-[2-[methyl-bis(trimethylsilyloxy)silyl]ethyl]pentanedioic acid
SMILESC[Si](C)(C)O[Si](C)(CCC(CC(=O)O)CC(=O)O)O[Si](C)(C)C
InChIInChI=1S/C14H32O6Si3/c1-21(2,3)19-23(7,20-22(4,5)6)9-8-12(10-13(15)16)11-14(17)18/h12H,8-11H2,1-7H3,(H,15,16)(H,17,18)
InChIKeyJZAYVBJVJZIWLJ-UHFFFAOYSA-N
MW380.66 g/mol
LogP3.72
Rot. Bonds11

About 3-[2-[methyl-bis(trimethylsilyloxy)silyl]ethyl]pentanedioic acid

3-[2-[methyl-bis(trimethylsilyloxy)silyl]ethyl]pentanedioic acid (PubChem CID 59128078) has the molecular formula C14H32O6Si3 and a molecular weight of 380.66 g/mol. Its IUPAC name is 3-[2-[methyl-bis(trimethylsilyloxy)silyl]ethyl]pentanedioic acid.

Molecular Properties

Compound Name3-[2-[methyl-bis(trimethylsilyloxy)silyl]ethyl]pentanedioic acid
PubChem CID59128078
Molecular FormulaC14H32O6Si3
Molecular Weight380.66 g/mol
Exact Mass380.15
IUPAC Name3-[2-[methyl-bis(trimethylsilyloxy)silyl]ethyl]pentanedioic acid
SMILESC[Si](C)(C)O[Si](C)(CCC(CC(=O)O)CC(=O)O)O[Si](C)(C)C
InChIInChI=1S/C14H32O6Si3/c1-21(2,3)19-23(7,20-22(4,5)6)9-8-12(10-13(15)16)11-14(17)18/h12H,8-11H2,1-7H3,(H,15,16)(H,17,18)
InChIKeyJZAYVBJVJZIWLJ-UHFFFAOYSA-N
XLogP3.72
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.66
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[2-[methyl-bis(trimethylsilyloxy)silyl]ethyl]pentanedioic acid 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 3-[2-[methyl-bis(trimethylsilyloxy)silyl]ethyl]pentanedioic acid?
The IUPAC name of 3-[2-[methyl-bis(trimethylsilyloxy)silyl]ethyl]pentanedioic acid (CID 59128078) is 3-[2-[methyl-bis(trimethylsilyloxy)silyl]ethyl]pentanedioic acid.
What is the SMILES notation for 3-[2-[methyl-bis(trimethylsilyloxy)silyl]ethyl]pentanedioic acid?
The canonical SMILES for 3-[2-[methyl-bis(trimethylsilyloxy)silyl]ethyl]pentanedioic acid is C[Si](C)(C)O[Si](C)(CCC(CC(=O)O)CC(=O)O)O[Si](C)(C)C.
What is the InChIKey of 3-[2-[methyl-bis(trimethylsilyloxy)silyl]ethyl]pentanedioic acid?
The InChIKey is JZAYVBJVJZIWLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32O6Si3/c1-21(2,3)19-23(7,20-22(4,5)6)9-8-12(10-13(15)16)11-14(17)18/h12H,8-11H2,1-7H3,(H,15,16)(H,17,18).
What are the key properties of 3-[2-[methyl-bis(trimethylsilyloxy)silyl]ethyl]pentanedioic acid?
3-[2-[methyl-bis(trimethylsilyloxy)silyl]ethyl]pentanedioic acid has a molecular weight of 380.66 g/mol, XLogP of 3.72, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[methyl-bis(trimethylsilyloxy)silyl]ethyl]pentanedioic acid is sourced from PubChem (CID 59128078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).