oxan-3-ylsilane

C5H12OSi — CID 123235696

IUPACoxan-3-ylsilane
SMILES[SiH3]C1CCCOC1
InChIInChI=1S/C5H12OSi/c7-5-2-1-3-6-4-5/h5H,1-4H2,7H3
InChIKeyAJPXRORRKOWXPL-UHFFFAOYSA-N
MW116.24 g/mol
LogP-0.05
Rot. Bonds

About oxan-3-ylsilane

oxan-3-ylsilane (PubChem CID 123235696) has the molecular formula C5H12OSi and a molecular weight of 116.24 g/mol. Its IUPAC name is oxan-3-ylsilane.

Molecular Properties

Compound Nameoxan-3-ylsilane
PubChem CID123235696
Molecular FormulaC5H12OSi
Molecular Weight116.24 g/mol
Exact Mass116.07
IUPAC Nameoxan-3-ylsilane
SMILES[SiH3]C1CCCOC1
InChIInChI=1S/C5H12OSi/c7-5-2-1-3-6-4-5/h5H,1-4H2,7H3
InChIKeyAJPXRORRKOWXPL-UHFFFAOYSA-N
XLogP-0.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.24
LogP ≤ 5-0.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 oxan-3-ylsilane?
The IUPAC name of oxan-3-ylsilane (CID 123235696) is oxan-3-ylsilane.
What is the SMILES notation for oxan-3-ylsilane?
The canonical SMILES for oxan-3-ylsilane is [SiH3]C1CCCOC1.
What is the InChIKey of oxan-3-ylsilane?
The InChIKey is AJPXRORRKOWXPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12OSi/c7-5-2-1-3-6-4-5/h5H,1-4H2,7H3.
What are the key properties of oxan-3-ylsilane?
oxan-3-ylsilane has a molecular weight of 116.24 g/mol, XLogP of -0.05, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-3-ylsilane is sourced from PubChem (CID 123235696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).