2-trimethylsilyloxypentanedioic acid

C8H16O5Si — CID 57446919

IUPAC2-trimethylsilyloxypentanedioic acid
SMILESC[Si](C)(C)OC(CCC(=O)O)C(=O)O
InChIInChI=1S/C8H16O5Si/c1-14(2,3)13-6(8(11)12)4-5-7(9)10/h6H,4-5H2,1-3H3,(H,9,10)(H,11,12)
InChIKeySAUXHBAGVBLDQQ-UHFFFAOYSA-N
MW220.30 g/mol
LogP1.16
Rot. Bonds6

About 2-trimethylsilyloxypentanedioic acid

2-trimethylsilyloxypentanedioic acid (PubChem CID 57446919) has the molecular formula C8H16O5Si and a molecular weight of 220.30 g/mol. Its IUPAC name is 2-trimethylsilyloxypentanedioic acid.

Molecular Properties

Compound Name2-trimethylsilyloxypentanedioic acid
PubChem CID57446919
Molecular FormulaC8H16O5Si
Molecular Weight220.30 g/mol
Exact Mass220.08
IUPAC Name2-trimethylsilyloxypentanedioic acid
SMILESC[Si](C)(C)OC(CCC(=O)O)C(=O)O
InChIInChI=1S/C8H16O5Si/c1-14(2,3)13-6(8(11)12)4-5-7(9)10/h6H,4-5H2,1-3H3,(H,9,10)(H,11,12)
InChIKeySAUXHBAGVBLDQQ-UHFFFAOYSA-N
XLogP1.16
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 51.16
H-Bond Donors ≤ 52
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 2-trimethylsilyloxypentanedioic acid?
The IUPAC name of 2-trimethylsilyloxypentanedioic acid (CID 57446919) is 2-trimethylsilyloxypentanedioic acid.
What is the SMILES notation for 2-trimethylsilyloxypentanedioic acid?
The canonical SMILES for 2-trimethylsilyloxypentanedioic acid is C[Si](C)(C)OC(CCC(=O)O)C(=O)O.
What is the InChIKey of 2-trimethylsilyloxypentanedioic acid?
The InChIKey is SAUXHBAGVBLDQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O5Si/c1-14(2,3)13-6(8(11)12)4-5-7(9)10/h6H,4-5H2,1-3H3,(H,9,10)(H,11,12).
What are the key properties of 2-trimethylsilyloxypentanedioic acid?
2-trimethylsilyloxypentanedioic acid has a molecular weight of 220.30 g/mol, XLogP of 1.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilyloxypentanedioic acid is sourced from PubChem (CID 57446919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).