1,3-oxasilepane

C5H12OSi — CID 123169815

IUPAC1,3-oxasilepane
SMILESC1CC[SiH2]COC1
InChIInChI=1S/C5H12OSi/c1-2-4-7-5-6-3-1/h1-5,7H2
InChIKeyQTUAMONOHLSNDC-UHFFFAOYSA-N
MW116.24 g/mol
LogP0.34
Rot. Bonds

About 1,3-oxasilepane

1,3-oxasilepane (PubChem CID 123169815) has the molecular formula C5H12OSi and a molecular weight of 116.24 g/mol. Its IUPAC name is 1,3-oxasilepane.

Molecular Properties

Compound Name1,3-oxasilepane
PubChem CID123169815
Molecular FormulaC5H12OSi
Molecular Weight116.24 g/mol
Exact Mass116.07
IUPAC Name1,3-oxasilepane
SMILESC1CC[SiH2]COC1
InChIInChI=1S/C5H12OSi/c1-2-4-7-5-6-3-1/h1-5,7H2
InChIKeyQTUAMONOHLSNDC-UHFFFAOYSA-N
XLogP0.34
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 ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

oxolane;silinane
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oxacyclotetradecane;dihydrate
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1,6,11,16,21,26,31-heptaoxacyclopentatriacontane
CID 15446455
1,6,11,16,21,26,31,36,41,46-decaoxacyclopentacontane
CID 15446458
hydrazine;oxolane;hydrate
CID 159543883
manganese;oxolane
CID 70504486
1,5,10,14-tetraoxacyclooctadecane
CID 57048709
oxane;oxepane;oxocane;oxolane
CID 159745968
cycloheptane;oxolane
CID 23033083
oxolane;titanium
CID 160710512
oxacycloheptadecane
CID 22011753
oxolane;oxonane
CID 159283889

Frequently Asked Questions

What is the IUPAC name of 1,3-oxasilepane?
The IUPAC name of 1,3-oxasilepane (CID 123169815) is 1,3-oxasilepane.
What is the SMILES notation for 1,3-oxasilepane?
The canonical SMILES for 1,3-oxasilepane is C1CC[SiH2]COC1.
What is the InChIKey of 1,3-oxasilepane?
The InChIKey is QTUAMONOHLSNDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12OSi/c1-2-4-7-5-6-3-1/h1-5,7H2.
What are the key properties of 1,3-oxasilepane?
1,3-oxasilepane has a molecular weight of 116.24 g/mol, XLogP of 0.34, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-oxasilepane is sourced from PubChem (CID 123169815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).