3-tri(propan-2-yl)silyloxythiophene-2-carboxylic acid

C14H24O3SSi — CID 69277085

IUPAC3-tri(propan-2-yl)silyloxythiophene-2-carboxylic acid
SMILESCC(C)[Si](Oc1ccsc1C(=O)O)(C(C)C)C(C)C
InChIInChI=1S/C14H24O3SSi/c1-9(2)19(10(3)4,11(5)6)17-12-7-8-18-13(12)14(15)16/h7-11H,1-6H3,(H,15,16)
InChIKeyMYARZRMVSSPBDI-UHFFFAOYSA-N
MW300.50 g/mol
LogP5.00
Rot. Bonds6

About 3-tri(propan-2-yl)silyloxythiophene-2-carboxylic acid

3-tri(propan-2-yl)silyloxythiophene-2-carboxylic acid (PubChem CID 69277085) has the molecular formula C14H24O3SSi and a molecular weight of 300.50 g/mol. Its IUPAC name is 3-tri(propan-2-yl)silyloxythiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-tri(propan-2-yl)silyloxythiophene-2-carboxylic acid
PubChem CID69277085
Molecular FormulaC14H24O3SSi
Molecular Weight300.50 g/mol
Exact Mass300.12
IUPAC Name3-tri(propan-2-yl)silyloxythiophene-2-carboxylic acid
SMILESCC(C)[Si](Oc1ccsc1C(=O)O)(C(C)C)C(C)C
InChIInChI=1S/C14H24O3SSi/c1-9(2)19(10(3)4,11(5)6)17-12-7-8-18-13(12)14(15)16/h7-11H,1-6H3,(H,15,16)
InChIKeyMYARZRMVSSPBDI-UHFFFAOYSA-N
XLogP5.00
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.50
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-tri(propan-2-yl)silyloxythiophene-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-tri(propan-2-yl)silyloxythiophene-2-carboxylic acid?
The IUPAC name of 3-tri(propan-2-yl)silyloxythiophene-2-carboxylic acid (CID 69277085) is 3-tri(propan-2-yl)silyloxythiophene-2-carboxylic acid.
What is the SMILES notation for 3-tri(propan-2-yl)silyloxythiophene-2-carboxylic acid?
The canonical SMILES for 3-tri(propan-2-yl)silyloxythiophene-2-carboxylic acid is CC(C)[Si](Oc1ccsc1C(=O)O)(C(C)C)C(C)C.
What is the InChIKey of 3-tri(propan-2-yl)silyloxythiophene-2-carboxylic acid?
The InChIKey is MYARZRMVSSPBDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O3SSi/c1-9(2)19(10(3)4,11(5)6)17-12-7-8-18-13(12)14(15)16/h7-11H,1-6H3,(H,15,16).
What are the key properties of 3-tri(propan-2-yl)silyloxythiophene-2-carboxylic acid?
3-tri(propan-2-yl)silyloxythiophene-2-carboxylic acid has a molecular weight of 300.50 g/mol, XLogP of 5.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tri(propan-2-yl)silyloxythiophene-2-carboxylic acid is sourced from PubChem (CID 69277085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).