2-[ditert-butyl(pentan-2-yl)silyl]-2-methylpropanoic acid

C17H36O2Si — CID 87855607

IUPAC2-[ditert-butyl(pentan-2-yl)silyl]-2-methylpropanoic acid
SMILESCCCC(C)[Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C(=O)O
InChIInChI=1S/C17H36O2Si/c1-11-12-13(2)20(15(3,4)5,16(6,7)8)17(9,10)14(18)19/h13H,11-12H2,1-10H3,(H,18,19)
InChIKeyVCTZYXHLMOUZOA-UHFFFAOYSA-N
MW300.56 g/mol
LogP6.09
Rot. Bonds5

About 2-[ditert-butyl(pentan-2-yl)silyl]-2-methylpropanoic acid

2-[ditert-butyl(pentan-2-yl)silyl]-2-methylpropanoic acid (PubChem CID 87855607) has the molecular formula C17H36O2Si and a molecular weight of 300.56 g/mol. Its IUPAC name is 2-[ditert-butyl(pentan-2-yl)silyl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[ditert-butyl(pentan-2-yl)silyl]-2-methylpropanoic acid
PubChem CID87855607
Molecular FormulaC17H36O2Si
Molecular Weight300.56 g/mol
Exact Mass300.25
IUPAC Name2-[ditert-butyl(pentan-2-yl)silyl]-2-methylpropanoic acid
SMILESCCCC(C)[Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C(=O)O
InChIInChI=1S/C17H36O2Si/c1-11-12-13(2)20(15(3,4)5,16(6,7)8)17(9,10)14(18)19/h13H,11-12H2,1-10H3,(H,18,19)
InChIKeyVCTZYXHLMOUZOA-UHFFFAOYSA-N
XLogP6.09
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.56
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-2-(pentan-2-ylcarbamoylamino)butanoic acid
CID 79798870
(3R)-3-hydroxy-2,2-dimethylhexanoic acid
CID 45380206
(3S)-3-hydroxy-2,2-dimethylhexanoic acid
CID 45380205
2-ethoxycarbonyl-2,3-dimethylhexanoic acid
CID 107889825
2-hydroxy-3-methyl-2-propan-2-ylhexanoic acid
CID 79303936
2,2-di(heptan-4-yl)propanedioic acid
CID 91100527
2-methyl-4-oxo-4-(pentan-2-ylamino)-2-propan-2-ylbutanoic acid
CID 43529425
2-methyl-2-(3-methylhexanoylamino)butanoic acid
CID 119199351
2-tert-butylperoxy-2-methylpropane;2,2,3-trimethylhexanoic acid
CID 146295425
2,2,4,4,6-pentamethylnonanoic acid
CID 143847726
2,2-dimethyl-3-[methyl(pentan-2-yl)amino]propanoic acid
CID 62270301
2-methyl-2-(2-methylpentylsulfanyl)propanoic acid
CID 81223418

Frequently Asked Questions

What is the IUPAC name of 2-[ditert-butyl(pentan-2-yl)silyl]-2-methylpropanoic acid?
The IUPAC name of 2-[ditert-butyl(pentan-2-yl)silyl]-2-methylpropanoic acid (CID 87855607) is 2-[ditert-butyl(pentan-2-yl)silyl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[ditert-butyl(pentan-2-yl)silyl]-2-methylpropanoic acid?
The canonical SMILES for 2-[ditert-butyl(pentan-2-yl)silyl]-2-methylpropanoic acid is CCCC(C)[Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C(=O)O.
What is the InChIKey of 2-[ditert-butyl(pentan-2-yl)silyl]-2-methylpropanoic acid?
The InChIKey is VCTZYXHLMOUZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36O2Si/c1-11-12-13(2)20(15(3,4)5,16(6,7)8)17(9,10)14(18)19/h13H,11-12H2,1-10H3,(H,18,19).
What are the key properties of 2-[ditert-butyl(pentan-2-yl)silyl]-2-methylpropanoic acid?
2-[ditert-butyl(pentan-2-yl)silyl]-2-methylpropanoic acid has a molecular weight of 300.56 g/mol, XLogP of 6.09, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ditert-butyl(pentan-2-yl)silyl]-2-methylpropanoic acid is sourced from PubChem (CID 87855607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).