diethoxysilane;4-methyl-2H-furan-5-one

C9H18O4Si — CID 173129792

IUPACdiethoxysilane;4-methyl-2H-furan-5-one
SMILESCC1=CCOC1=O.CCO[SiH2]OCC
InChIInChI=1S/C5H6O2.C4H12O2Si/c1-4-2-3-7-5(4)6;1-3-5-7-6-4-2/h2H,3H2,1H3;3-4,7H2,1-2H3
InChIKeyLXQXDYVOBBEJSS-UHFFFAOYSA-N
MW218.32 g/mol
LogP0.55
Rot. Bonds4

About diethoxysilane;4-methyl-2H-furan-5-one

diethoxysilane;4-methyl-2H-furan-5-one (PubChem CID 173129792) has the molecular formula C9H18O4Si and a molecular weight of 218.32 g/mol. Its IUPAC name is diethoxysilane;4-methyl-2H-furan-5-one.

Molecular Properties

Compound Namediethoxysilane;4-methyl-2H-furan-5-one
PubChem CID173129792
Molecular FormulaC9H18O4Si
Molecular Weight218.32 g/mol
Exact Mass218.10
IUPAC Namediethoxysilane;4-methyl-2H-furan-5-one
SMILESCC1=CCOC1=O.CCO[SiH2]OCC
InChIInChI=1S/C5H6O2.C4H12O2Si/c1-4-2-3-7-5(4)6;1-3-5-7-6-4-2/h2H,3H2,1H3;3-4,7H2,1-2H3
InChIKeyLXQXDYVOBBEJSS-UHFFFAOYSA-N
XLogP0.55
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diethoxysilane;4-methyl-2H-furan-5-one?
The IUPAC name of diethoxysilane;4-methyl-2H-furan-5-one (CID 173129792) is diethoxysilane;4-methyl-2H-furan-5-one.
What is the SMILES notation for diethoxysilane;4-methyl-2H-furan-5-one?
The canonical SMILES for diethoxysilane;4-methyl-2H-furan-5-one is CC1=CCOC1=O.CCO[SiH2]OCC.
What is the InChIKey of diethoxysilane;4-methyl-2H-furan-5-one?
The InChIKey is LXQXDYVOBBEJSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6O2.C4H12O2Si/c1-4-2-3-7-5(4)6;1-3-5-7-6-4-2/h2H,3H2,1H3;3-4,7H2,1-2H3.
What are the key properties of diethoxysilane;4-methyl-2H-furan-5-one?
diethoxysilane;4-methyl-2H-furan-5-one has a molecular weight of 218.32 g/mol, XLogP of 0.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxysilane;4-methyl-2H-furan-5-one is sourced from PubChem (CID 173129792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).