ethanol;trihydroxy(methyl)silane;hydrate

C3H14O5Si — CID 159079704

IUPACethanol;trihydroxy(methyl)silane;hydrate
SMILESCCO.C[Si](O)(O)O.O
InChIInChI=1S/C2H6O.CH6O3Si.H2O/c1-2-3;1-5(2,3)4;/h3H,2H2,1H3;2-4H,1H3;1H2
InChIKeyLMCRGBDKXTXLTI-UHFFFAOYSA-N
MW158.23 g/mol
LogP-2.29
Rot. Bonds

About ethanol;trihydroxy(methyl)silane;hydrate

ethanol;trihydroxy(methyl)silane;hydrate (PubChem CID 159079704) has the molecular formula C3H14O5Si and a molecular weight of 158.23 g/mol. Its IUPAC name is ethanol;trihydroxy(methyl)silane;hydrate.

Molecular Properties

Compound Nameethanol;trihydroxy(methyl)silane;hydrate
PubChem CID159079704
Molecular FormulaC3H14O5Si
Molecular Weight158.23 g/mol
Exact Mass158.06
IUPAC Nameethanol;trihydroxy(methyl)silane;hydrate
SMILESCCO.C[Si](O)(O)O.O
InChIInChI=1S/C2H6O.CH6O3Si.H2O/c1-2-3;1-5(2,3)4;/h3H,2H2,1H3;2-4H,1H3;1H2
InChIKeyLMCRGBDKXTXLTI-UHFFFAOYSA-N
XLogP-2.29
TPSA112.42 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.23
LogP ≤ 5-2.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethanol;trihydroxy(methyl)silane;hydrate?
The IUPAC name of ethanol;trihydroxy(methyl)silane;hydrate (CID 159079704) is ethanol;trihydroxy(methyl)silane;hydrate.
What is the SMILES notation for ethanol;trihydroxy(methyl)silane;hydrate?
The canonical SMILES for ethanol;trihydroxy(methyl)silane;hydrate is CCO.C[Si](O)(O)O.O.
What is the InChIKey of ethanol;trihydroxy(methyl)silane;hydrate?
The InChIKey is LMCRGBDKXTXLTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O.CH6O3Si.H2O/c1-2-3;1-5(2,3)4;/h3H,2H2,1H3;2-4H,1H3;1H2.
What are the key properties of ethanol;trihydroxy(methyl)silane;hydrate?
ethanol;trihydroxy(methyl)silane;hydrate has a molecular weight of 158.23 g/mol, XLogP of -2.29, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;trihydroxy(methyl)silane;hydrate is sourced from PubChem (CID 159079704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).