2-[tert-butyl(dimethyl)silyl]oxybutanedioic acid

C10H20O5Si — CID 87697618

IUPAC2-[tert-butyl(dimethyl)silyl]oxybutanedioic acid
SMILESCC(C)(C)[Si](C)(C)OC(CC(=O)O)C(=O)O
InChIInChI=1S/C10H20O5Si/c1-10(2,3)16(4,5)15-7(9(13)14)6-8(11)12/h7H,6H2,1-5H3,(H,11,12)(H,13,14)
InChIKeyLRICJJOYINJINO-UHFFFAOYSA-N
MW248.35 g/mol
LogP1.94
Rot. Bonds5

About 2-[tert-butyl(dimethyl)silyl]oxybutanedioic acid

2-[tert-butyl(dimethyl)silyl]oxybutanedioic acid (PubChem CID 87697618) has the molecular formula C10H20O5Si and a molecular weight of 248.35 g/mol. Its IUPAC name is 2-[tert-butyl(dimethyl)silyl]oxybutanedioic acid.

Molecular Properties

Compound Name2-[tert-butyl(dimethyl)silyl]oxybutanedioic acid
PubChem CID87697618
Molecular FormulaC10H20O5Si
Molecular Weight248.35 g/mol
Exact Mass248.11
IUPAC Name2-[tert-butyl(dimethyl)silyl]oxybutanedioic acid
SMILESCC(C)(C)[Si](C)(C)OC(CC(=O)O)C(=O)O
InChIInChI=1S/C10H20O5Si/c1-10(2,3)16(4,5)15-7(9(13)14)6-8(11)12/h7H,6H2,1-5H3,(H,11,12)(H,13,14)
InChIKeyLRICJJOYINJINO-UHFFFAOYSA-N
XLogP1.94
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 51.94
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-[tert-butyl(dimethyl)silyl]oxybutanedioic acid?
The IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxybutanedioic acid (CID 87697618) is 2-[tert-butyl(dimethyl)silyl]oxybutanedioic acid.
What is the SMILES notation for 2-[tert-butyl(dimethyl)silyl]oxybutanedioic acid?
The canonical SMILES for 2-[tert-butyl(dimethyl)silyl]oxybutanedioic acid is CC(C)(C)[Si](C)(C)OC(CC(=O)O)C(=O)O.
What is the InChIKey of 2-[tert-butyl(dimethyl)silyl]oxybutanedioic acid?
The InChIKey is LRICJJOYINJINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O5Si/c1-10(2,3)16(4,5)15-7(9(13)14)6-8(11)12/h7H,6H2,1-5H3,(H,11,12)(H,13,14).
What are the key properties of 2-[tert-butyl(dimethyl)silyl]oxybutanedioic acid?
2-[tert-butyl(dimethyl)silyl]oxybutanedioic acid has a molecular weight of 248.35 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(dimethyl)silyl]oxybutanedioic acid is sourced from PubChem (CID 87697618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).