3-[1-(2,3-dimethylbutan-2-ylsilyloxymethyl)cyclobutyl]-3-hydroxypropanoic acid

C14H28O4Si — CID 123395543

IUPAC3-[1-(2,3-dimethylbutan-2-ylsilyloxymethyl)cyclobutyl]-3-hydroxypropanoic acid
SMILESCC(C)C(C)(C)[SiH2]OCC1(C(O)CC(=O)O)CCC1
InChIInChI=1S/C14H28O4Si/c1-10(2)13(3,4)19-18-9-14(6-5-7-14)11(15)8-12(16)17/h10-11,15H,5-9,19H2,1-4H3,(H,16,17)
InChIKeyXEOIYOYIJMFASH-UHFFFAOYSA-N
MW288.46 g/mol
LogP1.95
Rot. Bonds8

About 3-[1-(2,3-dimethylbutan-2-ylsilyloxymethyl)cyclobutyl]-3-hydroxypropanoic acid

3-[1-(2,3-dimethylbutan-2-ylsilyloxymethyl)cyclobutyl]-3-hydroxypropanoic acid (PubChem CID 123395543) has the molecular formula C14H28O4Si and a molecular weight of 288.46 g/mol. Its IUPAC name is 3-[1-(2,3-dimethylbutan-2-ylsilyloxymethyl)cyclobutyl]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name3-[1-(2,3-dimethylbutan-2-ylsilyloxymethyl)cyclobutyl]-3-hydroxypropanoic acid
PubChem CID123395543
Molecular FormulaC14H28O4Si
Molecular Weight288.46 g/mol
Exact Mass288.18
IUPAC Name3-[1-(2,3-dimethylbutan-2-ylsilyloxymethyl)cyclobutyl]-3-hydroxypropanoic acid
SMILESCC(C)C(C)(C)[SiH2]OCC1(C(O)CC(=O)O)CCC1
InChIInChI=1S/C14H28O4Si/c1-10(2)13(3,4)19-18-9-14(6-5-7-14)11(15)8-12(16)17/h10-11,15H,5-9,19H2,1-4H3,(H,16,17)
InChIKeyXEOIYOYIJMFASH-UHFFFAOYSA-N
XLogP1.95
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 51.95
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 3-[1-(2,3-dimethylbutan-2-ylsilyloxymethyl)cyclobutyl]-3-hydroxypropanoic acid?
The IUPAC name of 3-[1-(2,3-dimethylbutan-2-ylsilyloxymethyl)cyclobutyl]-3-hydroxypropanoic acid (CID 123395543) is 3-[1-(2,3-dimethylbutan-2-ylsilyloxymethyl)cyclobutyl]-3-hydroxypropanoic acid.
What is the SMILES notation for 3-[1-(2,3-dimethylbutan-2-ylsilyloxymethyl)cyclobutyl]-3-hydroxypropanoic acid?
The canonical SMILES for 3-[1-(2,3-dimethylbutan-2-ylsilyloxymethyl)cyclobutyl]-3-hydroxypropanoic acid is CC(C)C(C)(C)[SiH2]OCC1(C(O)CC(=O)O)CCC1.
What is the InChIKey of 3-[1-(2,3-dimethylbutan-2-ylsilyloxymethyl)cyclobutyl]-3-hydroxypropanoic acid?
The InChIKey is XEOIYOYIJMFASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O4Si/c1-10(2)13(3,4)19-18-9-14(6-5-7-14)11(15)8-12(16)17/h10-11,15H,5-9,19H2,1-4H3,(H,16,17).
What are the key properties of 3-[1-(2,3-dimethylbutan-2-ylsilyloxymethyl)cyclobutyl]-3-hydroxypropanoic acid?
3-[1-(2,3-dimethylbutan-2-ylsilyloxymethyl)cyclobutyl]-3-hydroxypropanoic acid has a molecular weight of 288.46 g/mol, XLogP of 1.95, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,3-dimethylbutan-2-ylsilyloxymethyl)cyclobutyl]-3-hydroxypropanoic acid is sourced from PubChem (CID 123395543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).