hydroxy-oxo-propoxysilane

C3H8O3Si — CID 19901957

IUPAChydroxy-oxo-propoxysilane
SMILESCCCO[Si](=O)O
InChIInChI=1S/C3H8O3Si/c1-2-3-6-7(4)5/h4H,2-3H2,1H3
InChIKeyJYOFEYKOEOUIJT-UHFFFAOYSA-N
MW120.18 g/mol
LogP-0.18
Rot. Bonds3

About hydroxy-oxo-propoxysilane

hydroxy-oxo-propoxysilane (PubChem CID 19901957) has the molecular formula C3H8O3Si and a molecular weight of 120.18 g/mol. Its IUPAC name is hydroxy-oxo-propoxysilane.

Molecular Properties

Compound Namehydroxy-oxo-propoxysilane
PubChem CID19901957
Molecular FormulaC3H8O3Si
Molecular Weight120.18 g/mol
Exact Mass120.02
IUPAC Namehydroxy-oxo-propoxysilane
SMILESCCCO[Si](=O)O
InChIInChI=1S/C3H8O3Si/c1-2-3-6-7(4)5/h4H,2-3H2,1H3
InChIKeyJYOFEYKOEOUIJT-UHFFFAOYSA-N
XLogP-0.18
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.18
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 hydroxy-oxo-propoxysilane?
The IUPAC name of hydroxy-oxo-propoxysilane (CID 19901957) is hydroxy-oxo-propoxysilane.
What is the SMILES notation for hydroxy-oxo-propoxysilane?
The canonical SMILES for hydroxy-oxo-propoxysilane is CCCO[Si](=O)O.
What is the InChIKey of hydroxy-oxo-propoxysilane?
The InChIKey is JYOFEYKOEOUIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O3Si/c1-2-3-6-7(4)5/h4H,2-3H2,1H3.
What are the key properties of hydroxy-oxo-propoxysilane?
hydroxy-oxo-propoxysilane has a molecular weight of 120.18 g/mol, XLogP of -0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-oxo-propoxysilane is sourced from PubChem (CID 19901957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).