3-tert-butyl-2,3-dimethyl-2-silyloxypentanedioic acid

C11H22O5Si — CID 173320003

IUPAC3-tert-butyl-2,3-dimethyl-2-silyloxypentanedioic acid
SMILESCC(C)(C)C(C)(CC(=O)O)C(C)(O[SiH3])C(=O)O
InChIInChI=1S/C11H22O5Si/c1-9(2,3)10(4,6-7(12)13)11(5,16-17)8(14)15/h6H2,1-5,17H3,(H,12,13)(H,14,15)
InChIKeyUXGPEPSUDOBVOE-UHFFFAOYSA-N
MW262.38 g/mol
LogP0.65
Rot. Bonds5

About 3-tert-butyl-2,3-dimethyl-2-silyloxypentanedioic acid

3-tert-butyl-2,3-dimethyl-2-silyloxypentanedioic acid (PubChem CID 173320003) has the molecular formula C11H22O5Si and a molecular weight of 262.38 g/mol. Its IUPAC name is 3-tert-butyl-2,3-dimethyl-2-silyloxypentanedioic acid.

Molecular Properties

Compound Name3-tert-butyl-2,3-dimethyl-2-silyloxypentanedioic acid
PubChem CID173320003
Molecular FormulaC11H22O5Si
Molecular Weight262.38 g/mol
Exact Mass262.12
IUPAC Name3-tert-butyl-2,3-dimethyl-2-silyloxypentanedioic acid
SMILESCC(C)(C)C(C)(CC(=O)O)C(C)(O[SiH3])C(=O)O
InChIInChI=1S/C11H22O5Si/c1-9(2,3)10(4,6-7(12)13)11(5,16-17)8(14)15/h6H2,1-5,17H3,(H,12,13)(H,14,15)
InChIKeyUXGPEPSUDOBVOE-UHFFFAOYSA-N
XLogP0.65
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-tert-butyl-2-[(2-methylpropan-2-yl)oxy]butanedioic acid
CID 87791388
2,2-dimethylbutanedioic acid;hydrochloride
CID 87625816
3-tert-butyl-3-hydroxy-4,4-dimethylpentanoic acid
CID 169324245
bis(3,3-dimethylbutanoic acid);hydrochloride
CID 172719072
3,3-dimethylbutanoic acid;yttrium
CID 59798482
3-amino-4-methoxy-3-methylbutanoic acid
CID 64666411
2,4-dimethylpentane-1,2,3,3,4,5-hexacarboxylic acid
CID 154020768
3,3-dichlorobutanoic acid
CID 56997062
(1-carboxy-2-methylpropan-2-yl)azanium
CID 59614741
CID 174276018
CID 174276018
2-(3-tert-butyl-3,4,4-trimethylpentanoyl)oxyethyl 3-tert-butyl-3,4,4-trimethylpentanoate
CID 90137653
benzene;3-hydroxy-3-methylbutanoic acid
CID 67584950

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-2,3-dimethyl-2-silyloxypentanedioic acid?
The IUPAC name of 3-tert-butyl-2,3-dimethyl-2-silyloxypentanedioic acid (CID 173320003) is 3-tert-butyl-2,3-dimethyl-2-silyloxypentanedioic acid.
What is the SMILES notation for 3-tert-butyl-2,3-dimethyl-2-silyloxypentanedioic acid?
The canonical SMILES for 3-tert-butyl-2,3-dimethyl-2-silyloxypentanedioic acid is CC(C)(C)C(C)(CC(=O)O)C(C)(O[SiH3])C(=O)O.
What is the InChIKey of 3-tert-butyl-2,3-dimethyl-2-silyloxypentanedioic acid?
The InChIKey is UXGPEPSUDOBVOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O5Si/c1-9(2,3)10(4,6-7(12)13)11(5,16-17)8(14)15/h6H2,1-5,17H3,(H,12,13)(H,14,15).
What are the key properties of 3-tert-butyl-2,3-dimethyl-2-silyloxypentanedioic acid?
3-tert-butyl-2,3-dimethyl-2-silyloxypentanedioic acid has a molecular weight of 262.38 g/mol, XLogP of 0.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-2,3-dimethyl-2-silyloxypentanedioic acid is sourced from PubChem (CID 173320003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).