3,4-bis(trimethylsilyloxy)butanoic acid

C10H24O4Si2 — CID 87627564

IUPAC3,4-bis(trimethylsilyloxy)butanoic acid
SMILESC[Si](C)(C)OCC(CC(=O)O)O[Si](C)(C)C
InChIInChI=1S/C10H24O4Si2/c1-15(2,3)13-8-9(7-10(11)12)14-16(4,5)6/h9H,7-8H2,1-6H3,(H,11,12)
InChIKeyHHFGPELOAWJGHR-UHFFFAOYSA-N
MW264.47 g/mol
LogP2.53
Rot. Bonds7

About 3,4-bis(trimethylsilyloxy)butanoic acid

3,4-bis(trimethylsilyloxy)butanoic acid (PubChem CID 87627564) has the molecular formula C10H24O4Si2 and a molecular weight of 264.47 g/mol. Its IUPAC name is 3,4-bis(trimethylsilyloxy)butanoic acid.

Molecular Properties

Compound Name3,4-bis(trimethylsilyloxy)butanoic acid
PubChem CID87627564
Molecular FormulaC10H24O4Si2
Molecular Weight264.47 g/mol
Exact Mass264.12
IUPAC Name3,4-bis(trimethylsilyloxy)butanoic acid
SMILESC[Si](C)(C)OCC(CC(=O)O)O[Si](C)(C)C
InChIInChI=1S/C10H24O4Si2/c1-15(2,3)13-8-9(7-10(11)12)14-16(4,5)6/h9H,7-8H2,1-6H3,(H,11,12)
InChIKeyHHFGPELOAWJGHR-UHFFFAOYSA-N
XLogP2.53
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.47
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,4-bis(trimethylsilyloxy)butanoic acid?
The IUPAC name of 3,4-bis(trimethylsilyloxy)butanoic acid (CID 87627564) is 3,4-bis(trimethylsilyloxy)butanoic acid.
What is the SMILES notation for 3,4-bis(trimethylsilyloxy)butanoic acid?
The canonical SMILES for 3,4-bis(trimethylsilyloxy)butanoic acid is C[Si](C)(C)OCC(CC(=O)O)O[Si](C)(C)C.
What is the InChIKey of 3,4-bis(trimethylsilyloxy)butanoic acid?
The InChIKey is HHFGPELOAWJGHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24O4Si2/c1-15(2,3)13-8-9(7-10(11)12)14-16(4,5)6/h9H,7-8H2,1-6H3,(H,11,12).
What are the key properties of 3,4-bis(trimethylsilyloxy)butanoic acid?
3,4-bis(trimethylsilyloxy)butanoic acid has a molecular weight of 264.47 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(trimethylsilyloxy)butanoic acid is sourced from PubChem (CID 87627564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).