3,3-dimethyl-2-(trimethylsilylmethyl)butanoic acid

C10H22O2Si — CID 57231506

IUPAC3,3-dimethyl-2-(trimethylsilylmethyl)butanoic acid
SMILESCC(C)(C)C(C[Si](C)(C)C)C(=O)O
InChIInChI=1S/C10H22O2Si/c1-10(2,3)8(9(11)12)7-13(4,5)6/h8H,7H2,1-6H3,(H,11,12)
InChIKeyPNIBZCIYIPRWDJ-UHFFFAOYSA-N
MW202.37 g/mol
LogP3.07
Rot. Bonds3

About 3,3-dimethyl-2-(trimethylsilylmethyl)butanoic acid

3,3-dimethyl-2-(trimethylsilylmethyl)butanoic acid (PubChem CID 57231506) has the molecular formula C10H22O2Si and a molecular weight of 202.37 g/mol. Its IUPAC name is 3,3-dimethyl-2-(trimethylsilylmethyl)butanoic acid.

Molecular Properties

Compound Name3,3-dimethyl-2-(trimethylsilylmethyl)butanoic acid
PubChem CID57231506
Molecular FormulaC10H22O2Si
Molecular Weight202.37 g/mol
Exact Mass202.14
IUPAC Name3,3-dimethyl-2-(trimethylsilylmethyl)butanoic acid
SMILESCC(C)(C)C(C[Si](C)(C)C)C(=O)O
InChIInChI=1S/C10H22O2Si/c1-10(2,3)8(9(11)12)7-13(4,5)6/h8H,7H2,1-6H3,(H,11,12)
InChIKeyPNIBZCIYIPRWDJ-UHFFFAOYSA-N
XLogP3.07
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.37
LogP ≤ 53.07
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

(2R)-2-ethyl-3,3-dimethylbutanoic acid
CID 87414884
2-(2,2-difluoroethyl)-3,3-dimethylbutanoic acid
CID 83137201
2-tert-butyl-4,4,4-trifluorobutanoic acid
CID 83136000
2-tert-butyl-5-hydroxyhexanoic acid
CID 22275994
(2R)-2-amino-3-trimethylsilylpropanoic acid;hydron;bromide
CID 173172794
2-tert-butyl-5,5-dichloropent-4-enoic acid
CID 71374735
2-tert-butyl-6,6,6-trifluorohexanoic acid
CID 83137658
(2R)-4,4-dimethyl-2-trimethylsilylpentanoic acid
CID 124629146
2-(methylamino)-3-trimethylsilylpropanoic acid
CID 175259884
3,3-dimethyl-2-(pyridin-4-ylmethyl)butanoic acid
CID 83136840
2-tert-butyl-11-iodoundecanoic acid
CID 88526895
3,3-dimethyl-2-(2-propan-2-yloxyethyl)butanoic acid
CID 83138589

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2-(trimethylsilylmethyl)butanoic acid?
The IUPAC name of 3,3-dimethyl-2-(trimethylsilylmethyl)butanoic acid (CID 57231506) is 3,3-dimethyl-2-(trimethylsilylmethyl)butanoic acid.
What is the SMILES notation for 3,3-dimethyl-2-(trimethylsilylmethyl)butanoic acid?
The canonical SMILES for 3,3-dimethyl-2-(trimethylsilylmethyl)butanoic acid is CC(C)(C)C(C[Si](C)(C)C)C(=O)O.
What is the InChIKey of 3,3-dimethyl-2-(trimethylsilylmethyl)butanoic acid?
The InChIKey is PNIBZCIYIPRWDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2Si/c1-10(2,3)8(9(11)12)7-13(4,5)6/h8H,7H2,1-6H3,(H,11,12).
What are the key properties of 3,3-dimethyl-2-(trimethylsilylmethyl)butanoic acid?
3,3-dimethyl-2-(trimethylsilylmethyl)butanoic acid has a molecular weight of 202.37 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-(trimethylsilylmethyl)butanoic acid is sourced from PubChem (CID 57231506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).