1-[1,2-dihydroxypropyl(triethoxysilylmethyl)amino]propane-1,2-diol

C13H31NO7Si — CID 142761773

IUPAC1-[1,2-dihydroxypropyl(triethoxysilylmethyl)amino]propane-1,2-diol
SMILESCCO[Si](CN(C(O)C(C)O)C(O)C(C)O)(OCC)OCC
InChIInChI=1S/C13H31NO7Si/c1-6-19-22(20-7-2,21-8-3)9-14(12(17)10(4)15)13(18)11(5)16/h10-13,15-18H,6-9H2,1-5H3
InChIKeyUJBJIOOWUWVIRX-UHFFFAOYSA-N
MW341.48 g/mol
LogP-0.73
Rot. Bonds12

About 1-[1,2-dihydroxypropyl(triethoxysilylmethyl)amino]propane-1,2-diol

1-[1,2-dihydroxypropyl(triethoxysilylmethyl)amino]propane-1,2-diol (PubChem CID 142761773) has the molecular formula C13H31NO7Si and a molecular weight of 341.48 g/mol. Its IUPAC name is 1-[1,2-dihydroxypropyl(triethoxysilylmethyl)amino]propane-1,2-diol.

Molecular Properties

Compound Name1-[1,2-dihydroxypropyl(triethoxysilylmethyl)amino]propane-1,2-diol
PubChem CID142761773
Molecular FormulaC13H31NO7Si
Molecular Weight341.48 g/mol
Exact Mass341.19
IUPAC Name1-[1,2-dihydroxypropyl(triethoxysilylmethyl)amino]propane-1,2-diol
SMILESCCO[Si](CN(C(O)C(C)O)C(O)C(C)O)(OCC)OCC
InChIInChI=1S/C13H31NO7Si/c1-6-19-22(20-7-2,21-8-3)9-14(12(17)10(4)15)13(18)11(5)16/h10-13,15-18H,6-9H2,1-5H3
InChIKeyUJBJIOOWUWVIRX-UHFFFAOYSA-N
XLogP-0.73
TPSA111.85 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 5-0.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-triethoxysilylpropane-1,2-diol
CID 87668140
1-ethoxy-2-triethoxysilylethanol
CID 87970576
diethoxy-ethyl-propan-2-yloxysilane
CID 18331965
1-triethoxysilylpropan-2-amine
CID 10236113
triethoxy-(3-ethyl-2-methylpentyl)silane
CID 18696416
triethoxy(3,4,5-trimethylhex-5-enyl)silane
CID 87112408
benzyl(triethoxy)silane;propan-2-ol
CID 172724025
3-[[(2S)-3-[3-aminopropyl(diethoxy)silyl]oxybutan-2-yl]oxy-diethoxysilyl]propan-1-amine
CID 58773749
1-[diethoxy(ethyl)silyl]oxyethylphosphane
CID 157287140
2-[diethoxy(propyl)silyl]oxypropane-1,1-diamine
CID 175506053
diethoxy-di(propan-2-yl)silane
CID 14048564
triethoxy(triethoxysilylmethoxymethyl)silane
CID 22616804

Frequently Asked Questions

What is the IUPAC name of 1-[1,2-dihydroxypropyl(triethoxysilylmethyl)amino]propane-1,2-diol?
The IUPAC name of 1-[1,2-dihydroxypropyl(triethoxysilylmethyl)amino]propane-1,2-diol (CID 142761773) is 1-[1,2-dihydroxypropyl(triethoxysilylmethyl)amino]propane-1,2-diol.
What is the SMILES notation for 1-[1,2-dihydroxypropyl(triethoxysilylmethyl)amino]propane-1,2-diol?
The canonical SMILES for 1-[1,2-dihydroxypropyl(triethoxysilylmethyl)amino]propane-1,2-diol is CCO[Si](CN(C(O)C(C)O)C(O)C(C)O)(OCC)OCC.
What is the InChIKey of 1-[1,2-dihydroxypropyl(triethoxysilylmethyl)amino]propane-1,2-diol?
The InChIKey is UJBJIOOWUWVIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H31NO7Si/c1-6-19-22(20-7-2,21-8-3)9-14(12(17)10(4)15)13(18)11(5)16/h10-13,15-18H,6-9H2,1-5H3.
What are the key properties of 1-[1,2-dihydroxypropyl(triethoxysilylmethyl)amino]propane-1,2-diol?
1-[1,2-dihydroxypropyl(triethoxysilylmethyl)amino]propane-1,2-diol has a molecular weight of 341.48 g/mol, XLogP of -0.73, 12 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,2-dihydroxypropyl(triethoxysilylmethyl)amino]propane-1,2-diol is sourced from PubChem (CID 142761773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).