4-methyl-2H-furan-5-one;(2-methylpropan-2-yl)oxysilane

C9H18O3Si — CID 173015894

IUPAC4-methyl-2H-furan-5-one;(2-methylpropan-2-yl)oxysilane
SMILESCC(C)(C)O[SiH3].CC1=CCOC1=O
InChIInChI=1S/C5H6O2.C4H12OSi/c1-4-2-3-7-5(4)6;1-4(2,3)5-6/h2H,3H2,1H3;1-3,6H3
InChIKeyPJOFESQRNFSHFC-UHFFFAOYSA-N
MW202.33 g/mol
LogP0.57
Rot. Bonds

About 4-methyl-2H-furan-5-one;(2-methylpropan-2-yl)oxysilane

4-methyl-2H-furan-5-one;(2-methylpropan-2-yl)oxysilane (PubChem CID 173015894) has the molecular formula C9H18O3Si and a molecular weight of 202.33 g/mol. Its IUPAC name is 4-methyl-2H-furan-5-one;(2-methylpropan-2-yl)oxysilane.

Molecular Properties

Compound Name4-methyl-2H-furan-5-one;(2-methylpropan-2-yl)oxysilane
PubChem CID173015894
Molecular FormulaC9H18O3Si
Molecular Weight202.33 g/mol
Exact Mass202.10
IUPAC Name4-methyl-2H-furan-5-one;(2-methylpropan-2-yl)oxysilane
SMILESCC(C)(C)O[SiH3].CC1=CCOC1=O
InChIInChI=1S/C5H6O2.C4H12OSi/c1-4-2-3-7-5(4)6;1-4(2,3)5-6/h2H,3H2,1H3;1-3,6H3
InChIKeyPJOFESQRNFSHFC-UHFFFAOYSA-N
XLogP0.57
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.33
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 4-methyl-2H-furan-5-one;(2-methylpropan-2-yl)oxysilane?
The IUPAC name of 4-methyl-2H-furan-5-one;(2-methylpropan-2-yl)oxysilane (CID 173015894) is 4-methyl-2H-furan-5-one;(2-methylpropan-2-yl)oxysilane.
What is the SMILES notation for 4-methyl-2H-furan-5-one;(2-methylpropan-2-yl)oxysilane?
The canonical SMILES for 4-methyl-2H-furan-5-one;(2-methylpropan-2-yl)oxysilane is CC(C)(C)O[SiH3].CC1=CCOC1=O.
What is the InChIKey of 4-methyl-2H-furan-5-one;(2-methylpropan-2-yl)oxysilane?
The InChIKey is PJOFESQRNFSHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6O2.C4H12OSi/c1-4-2-3-7-5(4)6;1-4(2,3)5-6/h2H,3H2,1H3;1-3,6H3.
What are the key properties of 4-methyl-2H-furan-5-one;(2-methylpropan-2-yl)oxysilane?
4-methyl-2H-furan-5-one;(2-methylpropan-2-yl)oxysilane has a molecular weight of 202.33 g/mol, XLogP of 0.57, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2H-furan-5-one;(2-methylpropan-2-yl)oxysilane is sourced from PubChem (CID 173015894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).