oxolane;silinane

C9H20OSi — CID 174621184

IUPACoxolane;silinane
SMILESC1CCOC1.C1CC[SiH2]CC1
InChIInChI=1S/C5H12Si.C4H8O/c1-2-4-6-5-3-1;1-2-4-5-3-1/h1-6H2;1-4H2
InChIKeyJTAUSTXKGOSFNM-UHFFFAOYSA-N
MW172.34 g/mol
LogP1.97
Rot. Bonds

About oxolane;silinane

oxolane;silinane (PubChem CID 174621184) has the molecular formula C9H20OSi and a molecular weight of 172.34 g/mol. Its IUPAC name is oxolane;silinane.

Molecular Properties

Compound Nameoxolane;silinane
PubChem CID174621184
Molecular FormulaC9H20OSi
Molecular Weight172.34 g/mol
Exact Mass172.13
IUPAC Nameoxolane;silinane
SMILESC1CCOC1.C1CC[SiH2]CC1
InChIInChI=1S/C5H12Si.C4H8O/c1-2-4-6-5-3-1;1-2-4-5-3-1/h1-6H2;1-4H2
InChIKeyJTAUSTXKGOSFNM-UHFFFAOYSA-N
XLogP1.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.34
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze oxolane;silinane 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 oxolane;silinane?
The IUPAC name of oxolane;silinane (CID 174621184) is oxolane;silinane.
What is the SMILES notation for oxolane;silinane?
The canonical SMILES for oxolane;silinane is C1CCOC1.C1CC[SiH2]CC1.
What is the InChIKey of oxolane;silinane?
The InChIKey is JTAUSTXKGOSFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12Si.C4H8O/c1-2-4-6-5-3-1;1-2-4-5-3-1/h1-6H2;1-4H2.
What are the key properties of oxolane;silinane?
oxolane;silinane has a molecular weight of 172.34 g/mol, XLogP of 1.97, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for oxolane;silinane is sourced from PubChem (CID 174621184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).