3-[3-[ethyl(dimethoxy)silyl]propyl]-1-propan-2-ylpyrrole-2,5-diol

C14H27NO4Si — CID 91151198

IUPAC3-[3-[ethyl(dimethoxy)silyl]propyl]-1-propan-2-ylpyrrole-2,5-diol
SMILESCC[Si](CCCc1cc(O)n(C(C)C)c1O)(OC)OC
InChIInChI=1S/C14H27NO4Si/c1-6-20(18-4,19-5)9-7-8-12-10-13(16)15(11(2)3)14(12)17/h10-11,16-17H,6-9H2,1-5H3
InChIKeyISDZTZZRURODIB-UHFFFAOYSA-N
MW301.46 g/mol
LogP3.17
Rot. Bonds8

About 3-[3-[ethyl(dimethoxy)silyl]propyl]-1-propan-2-ylpyrrole-2,5-diol

3-[3-[ethyl(dimethoxy)silyl]propyl]-1-propan-2-ylpyrrole-2,5-diol (PubChem CID 91151198) has the molecular formula C14H27NO4Si and a molecular weight of 301.46 g/mol. Its IUPAC name is 3-[3-[ethyl(dimethoxy)silyl]propyl]-1-propan-2-ylpyrrole-2,5-diol.

Molecular Properties

Compound Name3-[3-[ethyl(dimethoxy)silyl]propyl]-1-propan-2-ylpyrrole-2,5-diol
PubChem CID91151198
Molecular FormulaC14H27NO4Si
Molecular Weight301.46 g/mol
Exact Mass301.17
IUPAC Name3-[3-[ethyl(dimethoxy)silyl]propyl]-1-propan-2-ylpyrrole-2,5-diol
SMILESCC[Si](CCCc1cc(O)n(C(C)C)c1O)(OC)OC
InChIInChI=1S/C14H27NO4Si/c1-6-20(18-4,19-5)9-7-8-12-10-13(16)15(11(2)3)14(12)17/h10-11,16-17H,6-9H2,1-5H3
InChIKeyISDZTZZRURODIB-UHFFFAOYSA-N
XLogP3.17
TPSA63.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[3-[ethyl(dimethoxy)silyl]propyl]-1-propan-2-ylpyrrole-2,5-diol?
The IUPAC name of 3-[3-[ethyl(dimethoxy)silyl]propyl]-1-propan-2-ylpyrrole-2,5-diol (CID 91151198) is 3-[3-[ethyl(dimethoxy)silyl]propyl]-1-propan-2-ylpyrrole-2,5-diol.
What is the SMILES notation for 3-[3-[ethyl(dimethoxy)silyl]propyl]-1-propan-2-ylpyrrole-2,5-diol?
The canonical SMILES for 3-[3-[ethyl(dimethoxy)silyl]propyl]-1-propan-2-ylpyrrole-2,5-diol is CC[Si](CCCc1cc(O)n(C(C)C)c1O)(OC)OC.
What is the InChIKey of 3-[3-[ethyl(dimethoxy)silyl]propyl]-1-propan-2-ylpyrrole-2,5-diol?
The InChIKey is ISDZTZZRURODIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO4Si/c1-6-20(18-4,19-5)9-7-8-12-10-13(16)15(11(2)3)14(12)17/h10-11,16-17H,6-9H2,1-5H3.
What are the key properties of 3-[3-[ethyl(dimethoxy)silyl]propyl]-1-propan-2-ylpyrrole-2,5-diol?
3-[3-[ethyl(dimethoxy)silyl]propyl]-1-propan-2-ylpyrrole-2,5-diol has a molecular weight of 301.46 g/mol, XLogP of 3.17, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[ethyl(dimethoxy)silyl]propyl]-1-propan-2-ylpyrrole-2,5-diol is sourced from PubChem (CID 91151198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).