2-trihydroxysilyloxypropane-1,3-diol

C3H10O6Si — CID 19856836

IUPAC2-trihydroxysilyloxypropane-1,3-diol
SMILESOCC(CO)O[Si](O)(O)O
InChIInChI=1S/C3H10O6Si/c4-1-3(2-5)9-10(6,7)8/h3-8H,1-2H2
InChIKeyWPSKWVSHSQHDEJ-UHFFFAOYSA-N
MW170.19 g/mol
LogP-3.23
Rot. Bonds4

About 2-trihydroxysilyloxypropane-1,3-diol

2-trihydroxysilyloxypropane-1,3-diol (PubChem CID 19856836) has the molecular formula C3H10O6Si and a molecular weight of 170.19 g/mol. Its IUPAC name is 2-trihydroxysilyloxypropane-1,3-diol.

Molecular Properties

Compound Name2-trihydroxysilyloxypropane-1,3-diol
PubChem CID19856836
Molecular FormulaC3H10O6Si
Molecular Weight170.19 g/mol
Exact Mass170.02
IUPAC Name2-trihydroxysilyloxypropane-1,3-diol
SMILESOCC(CO)O[Si](O)(O)O
InChIInChI=1S/C3H10O6Si/c4-1-3(2-5)9-10(6,7)8/h3-8H,1-2H2
InChIKeyWPSKWVSHSQHDEJ-UHFFFAOYSA-N
XLogP-3.23
TPSA110.38 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.19
LogP ≤ 5-3.23
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(hydroxymethoxy)propane-1,3-diol
CID 59644967
dichloromethoxy(trihydroxy)silane
CID 174402564
trihydroxy(1-trihydroxysilyloxybutoxy)silane
CID 141431700
2-(2-hydroxyethoxy)propane-1,3-diol
CID 19067848
2-(sulfanylmethoxy)propane-1,3-diol
CID 87448610
(3-hydroxy-2-trimethylsilyloxypropyl) hydrogen carbonate
CID 89414576
3-amino-2-aminooxypropan-1-ol
CID 163580799
2-(1-hydroxypropan-2-yloxy)propane-1,3-diol
CID 54551679
(2S)-2-ethoxybutan-1-ol
CID 89167253
2,3-diaminooxypropan-1-ol
CID 57423862
ethane;2-methoxybutan-1-ol
CID 174440725
2-[2-(1,3-dihydroxypropan-2-yloxy)-3-hydroxypropoxy]propane-1,3-diol
CID 134863100

Frequently Asked Questions

What is the IUPAC name of 2-trihydroxysilyloxypropane-1,3-diol?
The IUPAC name of 2-trihydroxysilyloxypropane-1,3-diol (CID 19856836) is 2-trihydroxysilyloxypropane-1,3-diol.
What is the SMILES notation for 2-trihydroxysilyloxypropane-1,3-diol?
The canonical SMILES for 2-trihydroxysilyloxypropane-1,3-diol is OCC(CO)O[Si](O)(O)O.
What is the InChIKey of 2-trihydroxysilyloxypropane-1,3-diol?
The InChIKey is WPSKWVSHSQHDEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10O6Si/c4-1-3(2-5)9-10(6,7)8/h3-8H,1-2H2.
What are the key properties of 2-trihydroxysilyloxypropane-1,3-diol?
2-trihydroxysilyloxypropane-1,3-diol has a molecular weight of 170.19 g/mol, XLogP of -3.23, 4 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trihydroxysilyloxypropane-1,3-diol is sourced from PubChem (CID 19856836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).