1-[3-[diethoxy(methyl)silyl]propyl]-3-[3-[diethoxy(methyl)silyl]propylamino]pyrrole-2,5-diol

C20H42N2O6Si2 — CID 91100388

IUPAC1-[3-[diethoxy(methyl)silyl]propyl]-3-[3-[diethoxy(methyl)silyl]propylamino]pyrrole-2,5-diol
SMILESCCO[Si](C)(CCCNc1cc(O)n(CCC[Si](C)(OCC)OCC)c1O)OCC
InChIInChI=1S/C20H42N2O6Si2/c1-7-25-29(5,26-8-2)15-11-13-21-18-17-19(23)22(20(18)24)14-12-16-30(6,27-9-3)28-10-4/h17,21,23-24H,7-16H2,1-6H3
InChIKeyHDNHMAHEKZMLCA-UHFFFAOYSA-N
MW462.74 g/mol
LogP4.38
Rot. Bonds17

About 1-[3-[diethoxy(methyl)silyl]propyl]-3-[3-[diethoxy(methyl)silyl]propylamino]pyrrole-2,5-diol

1-[3-[diethoxy(methyl)silyl]propyl]-3-[3-[diethoxy(methyl)silyl]propylamino]pyrrole-2,5-diol (PubChem CID 91100388) has the molecular formula C20H42N2O6Si2 and a molecular weight of 462.74 g/mol. Its IUPAC name is 1-[3-[diethoxy(methyl)silyl]propyl]-3-[3-[diethoxy(methyl)silyl]propylamino]pyrrole-2,5-diol.

Molecular Properties

Compound Name1-[3-[diethoxy(methyl)silyl]propyl]-3-[3-[diethoxy(methyl)silyl]propylamino]pyrrole-2,5-diol
PubChem CID91100388
Molecular FormulaC20H42N2O6Si2
Molecular Weight462.74 g/mol
Exact Mass462.26
IUPAC Name1-[3-[diethoxy(methyl)silyl]propyl]-3-[3-[diethoxy(methyl)silyl]propylamino]pyrrole-2,5-diol
SMILESCCO[Si](C)(CCCNc1cc(O)n(CCC[Si](C)(OCC)OCC)c1O)OCC
InChIInChI=1S/C20H42N2O6Si2/c1-7-25-29(5,26-8-2)15-11-13-21-18-17-19(23)22(20(18)24)14-12-16-30(6,27-9-3)28-10-4/h17,21,23-24H,7-16H2,1-6H3
InChIKeyHDNHMAHEKZMLCA-UHFFFAOYSA-N
XLogP4.38
TPSA94.34 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds17
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.74
LogP ≤ 54.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[diethoxy(methyl)silyl]propyl]-3-[3-[diethoxy(methyl)silyl]propylamino]pyrrole-2,5-diol?
The IUPAC name of 1-[3-[diethoxy(methyl)silyl]propyl]-3-[3-[diethoxy(methyl)silyl]propylamino]pyrrole-2,5-diol (CID 91100388) is 1-[3-[diethoxy(methyl)silyl]propyl]-3-[3-[diethoxy(methyl)silyl]propylamino]pyrrole-2,5-diol.
What is the SMILES notation for 1-[3-[diethoxy(methyl)silyl]propyl]-3-[3-[diethoxy(methyl)silyl]propylamino]pyrrole-2,5-diol?
The canonical SMILES for 1-[3-[diethoxy(methyl)silyl]propyl]-3-[3-[diethoxy(methyl)silyl]propylamino]pyrrole-2,5-diol is CCO[Si](C)(CCCNc1cc(O)n(CCC[Si](C)(OCC)OCC)c1O)OCC.
What is the InChIKey of 1-[3-[diethoxy(methyl)silyl]propyl]-3-[3-[diethoxy(methyl)silyl]propylamino]pyrrole-2,5-diol?
The InChIKey is HDNHMAHEKZMLCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42N2O6Si2/c1-7-25-29(5,26-8-2)15-11-13-21-18-17-19(23)22(20(18)24)14-12-16-30(6,27-9-3)28-10-4/h17,21,23-24H,7-16H2,1-6H3.
What are the key properties of 1-[3-[diethoxy(methyl)silyl]propyl]-3-[3-[diethoxy(methyl)silyl]propylamino]pyrrole-2,5-diol?
1-[3-[diethoxy(methyl)silyl]propyl]-3-[3-[diethoxy(methyl)silyl]propylamino]pyrrole-2,5-diol has a molecular weight of 462.74 g/mol, XLogP of 4.38, 17 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[diethoxy(methyl)silyl]propyl]-3-[3-[diethoxy(methyl)silyl]propylamino]pyrrole-2,5-diol is sourced from PubChem (CID 91100388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).