[(2-dimethanimidoyloxysilyl-1-ethenoxypropan-2-yl)-methanimidoyloxysilyl] methanimidate

C9H18N4O5Si2 — CID 123619100

IUPAC[(2-dimethanimidoyloxysilyl-1-ethenoxypropan-2-yl)-methanimidoyloxysilyl] methanimidate
SMILES[H]/N=C\O[SiH](O/C=N/[H])C(C)(COC=C)[SiH](O/C=N/[H])O/C=N/[H]
InChIInChI=1S/C9H18N4O5Si2/c1-3-14-4-9(2,19(15-5-10)16-6-11)20(17-7-12)18-8-13/h3,5-8,10-13,19-20H,1,4H2,2H3/b10-5-,11-6+,12-7+,13-8+
InChIKeyBSEPGULFRIGWHO-JEEJREOFSA-N
MW318.44 g/mol
LogP0.38
Rot. Bonds13

About [(2-dimethanimidoyloxysilyl-1-ethenoxypropan-2-yl)-methanimidoyloxysilyl] methanimidate

[(2-dimethanimidoyloxysilyl-1-ethenoxypropan-2-yl)-methanimidoyloxysilyl] methanimidate (PubChem CID 123619100) has the molecular formula C9H18N4O5Si2 and a molecular weight of 318.44 g/mol. Its IUPAC name is [(2-dimethanimidoyloxysilyl-1-ethenoxypropan-2-yl)-methanimidoyloxysilyl] methanimidate.

Molecular Properties

Compound Name[(2-dimethanimidoyloxysilyl-1-ethenoxypropan-2-yl)-methanimidoyloxysilyl] methanimidate
PubChem CID123619100
Molecular FormulaC9H18N4O5Si2
Molecular Weight318.44 g/mol
Exact Mass318.08
IUPAC Name[(2-dimethanimidoyloxysilyl-1-ethenoxypropan-2-yl)-methanimidoyloxysilyl] methanimidate
SMILES[H]/N=C\O[SiH](O/C=N/[H])C(C)(COC=C)[SiH](O/C=N/[H])O/C=N/[H]
InChIInChI=1S/C9H18N4O5Si2/c1-3-14-4-9(2,19(15-5-10)16-6-11)20(17-7-12)18-8-13/h3,5-8,10-13,19-20H,1,4H2,2H3/b10-5-,11-6+,12-7+,13-8+
InChIKeyBSEPGULFRIGWHO-JEEJREOFSA-N
XLogP0.38
TPSA141.55 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 50.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2-dimethanimidoyloxysilyl-1-ethenoxypropan-2-yl)-methanimidoyloxysilyl] methanimidate?
The IUPAC name of [(2-dimethanimidoyloxysilyl-1-ethenoxypropan-2-yl)-methanimidoyloxysilyl] methanimidate (CID 123619100) is [(2-dimethanimidoyloxysilyl-1-ethenoxypropan-2-yl)-methanimidoyloxysilyl] methanimidate.
What is the SMILES notation for [(2-dimethanimidoyloxysilyl-1-ethenoxypropan-2-yl)-methanimidoyloxysilyl] methanimidate?
The canonical SMILES for [(2-dimethanimidoyloxysilyl-1-ethenoxypropan-2-yl)-methanimidoyloxysilyl] methanimidate is [H]/N=C\O[SiH](O/C=N/[H])C(C)(COC=C)[SiH](O/C=N/[H])O/C=N/[H].
What is the InChIKey of [(2-dimethanimidoyloxysilyl-1-ethenoxypropan-2-yl)-methanimidoyloxysilyl] methanimidate?
The InChIKey is BSEPGULFRIGWHO-JEEJREOFSA-N. The full InChI is InChI=1S/C9H18N4O5Si2/c1-3-14-4-9(2,19(15-5-10)16-6-11)20(17-7-12)18-8-13/h3,5-8,10-13,19-20H,1,4H2,2H3/b10-5-,11-6+,12-7+,13-8+.
What are the key properties of [(2-dimethanimidoyloxysilyl-1-ethenoxypropan-2-yl)-methanimidoyloxysilyl] methanimidate?
[(2-dimethanimidoyloxysilyl-1-ethenoxypropan-2-yl)-methanimidoyloxysilyl] methanimidate has a molecular weight of 318.44 g/mol, XLogP of 0.38, 13 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-dimethanimidoyloxysilyl-1-ethenoxypropan-2-yl)-methanimidoyloxysilyl] methanimidate is sourced from PubChem (CID 123619100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).