oxan-2-yl(oxo)silane

C5H10O2Si — CID 123542758

IUPACoxan-2-yl(oxo)silane
SMILESO=[SiH]C1CCCCO1
InChIInChI=1S/C5H10O2Si/c6-8-5-3-1-2-4-7-5/h5,8H,1-4H2
InChIKeyUHGGCYJQIUKKIU-UHFFFAOYSA-N
MW130.22 g/mol
LogP0.29
Rot. Bonds1

About oxan-2-yl(oxo)silane

oxan-2-yl(oxo)silane (PubChem CID 123542758) has the molecular formula C5H10O2Si and a molecular weight of 130.22 g/mol. Its IUPAC name is oxan-2-yl(oxo)silane.

Molecular Properties

Compound Nameoxan-2-yl(oxo)silane
PubChem CID123542758
Molecular FormulaC5H10O2Si
Molecular Weight130.22 g/mol
Exact Mass130.05
IUPAC Nameoxan-2-yl(oxo)silane
SMILESO=[SiH]C1CCCCO1
InChIInChI=1S/C5H10O2Si/c6-8-5-3-1-2-4-7-5/h5,8H,1-4H2
InChIKeyUHGGCYJQIUKKIU-UHFFFAOYSA-N
XLogP0.29
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.22
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze oxan-2-yl(oxo)silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of oxan-2-yl(oxo)silane?
The IUPAC name of oxan-2-yl(oxo)silane (CID 123542758) is oxan-2-yl(oxo)silane.
What is the SMILES notation for oxan-2-yl(oxo)silane?
The canonical SMILES for oxan-2-yl(oxo)silane is O=[SiH]C1CCCCO1.
What is the InChIKey of oxan-2-yl(oxo)silane?
The InChIKey is UHGGCYJQIUKKIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2Si/c6-8-5-3-1-2-4-7-5/h5,8H,1-4H2.
What are the key properties of oxan-2-yl(oxo)silane?
oxan-2-yl(oxo)silane has a molecular weight of 130.22 g/mol, XLogP of 0.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-2-yl(oxo)silane is sourced from PubChem (CID 123542758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).