trihydroxy(oxido)silane;tris(3-hydroxypropoxy)-methylazanium

C10H27NO10Si — CID 173185324

IUPACtrihydroxy(oxido)silane;tris(3-hydroxypropoxy)-methylazanium
SMILESC[N+](OCCCO)(OCCCO)OCCCO.[O-][Si](O)(O)O
InChIInChI=1S/C10H24NO6.H3O4Si/c1-11(15-8-2-5-12,16-9-3-6-13)17-10-4-7-14;1-5(2,3)4/h12-14H,2-10H2,1H3;1-3H/q+1;-1
InChIKeyJFHAJQUIHWYNJQ-UHFFFAOYSA-N
MW349.41 g/mol
LogP-3.87
Rot. Bonds12

About trihydroxy(oxido)silane;tris(3-hydroxypropoxy)-methylazanium

trihydroxy(oxido)silane;tris(3-hydroxypropoxy)-methylazanium (PubChem CID 173185324) has the molecular formula C10H27NO10Si and a molecular weight of 349.41 g/mol. Its IUPAC name is trihydroxy(oxido)silane;tris(3-hydroxypropoxy)-methylazanium.

Molecular Properties

Compound Nametrihydroxy(oxido)silane;tris(3-hydroxypropoxy)-methylazanium
PubChem CID173185324
Molecular FormulaC10H27NO10Si
Molecular Weight349.41 g/mol
Exact Mass349.14
IUPAC Nametrihydroxy(oxido)silane;tris(3-hydroxypropoxy)-methylazanium
SMILESC[N+](OCCCO)(OCCCO)OCCCO.[O-][Si](O)(O)O
InChIInChI=1S/C10H24NO6.H3O4Si/c1-11(15-8-2-5-12,16-9-3-6-13)17-10-4-7-14;1-5(2,3)4/h12-14H,2-10H2,1H3;1-3H/q+1;-1
InChIKeyJFHAJQUIHWYNJQ-UHFFFAOYSA-N
XLogP-3.87
TPSA172.13 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.41
LogP ≤ 5-3.87
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trihydroxy(oxido)silane;tris(3-hydroxypropoxy)-methylazanium?
The IUPAC name of trihydroxy(oxido)silane;tris(3-hydroxypropoxy)-methylazanium (CID 173185324) is trihydroxy(oxido)silane;tris(3-hydroxypropoxy)-methylazanium.
What is the SMILES notation for trihydroxy(oxido)silane;tris(3-hydroxypropoxy)-methylazanium?
The canonical SMILES for trihydroxy(oxido)silane;tris(3-hydroxypropoxy)-methylazanium is C[N+](OCCCO)(OCCCO)OCCCO.[O-][Si](O)(O)O.
What is the InChIKey of trihydroxy(oxido)silane;tris(3-hydroxypropoxy)-methylazanium?
The InChIKey is JFHAJQUIHWYNJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24NO6.H3O4Si/c1-11(15-8-2-5-12,16-9-3-6-13)17-10-4-7-14;1-5(2,3)4/h12-14H,2-10H2,1H3;1-3H/q+1;-1.
What are the key properties of trihydroxy(oxido)silane;tris(3-hydroxypropoxy)-methylazanium?
trihydroxy(oxido)silane;tris(3-hydroxypropoxy)-methylazanium has a molecular weight of 349.41 g/mol, XLogP of -3.87, 12 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for trihydroxy(oxido)silane;tris(3-hydroxypropoxy)-methylazanium is sourced from PubChem (CID 173185324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).