1,3,6,2-dioxazasilocane

C4H11NO2Si — CID 152746291

IUPAC1,3,6,2-dioxazasilocane
SMILESC1CO[SiH2]OCCN1
InChIInChI=1S/C4H11NO2Si/c1-3-6-8-7-4-2-5-1/h5H,1-4,8H2
InChIKeyIOTBKUSYJUXQGX-UHFFFAOYSA-N
MW133.22 g/mol
LogP-1.38
Rot. Bonds

About 1,3,6,2-dioxazasilocane

1,3,6,2-dioxazasilocane (PubChem CID 152746291) has the molecular formula C4H11NO2Si and a molecular weight of 133.22 g/mol. Its IUPAC name is 1,3,6,2-dioxazasilocane.

Molecular Properties

Compound Name1,3,6,2-dioxazasilocane
PubChem CID152746291
Molecular FormulaC4H11NO2Si
Molecular Weight133.22 g/mol
Exact Mass133.06
IUPAC Name1,3,6,2-dioxazasilocane
SMILESC1CO[SiH2]OCCN1
InChIInChI=1S/C4H11NO2Si/c1-3-6-8-7-4-2-5-1/h5H,1-4,8H2
InChIKeyIOTBKUSYJUXQGX-UHFFFAOYSA-N
XLogP-1.38
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.22
LogP ≤ 5-1.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1,3,6,2-dioxazasilocane with MolForge

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

Launch Full Analysis

Related Compounds

aziridine;oxirane
CID 131637743
morpholine;ruthenium(3+)
CID 162097690
sodium morpholine
CID 21469219
morpholine;piperazine
CID 22665942
CID 87713044
CID 87713044
morpholine;sulfane
CID 70348588
1,4,7-trioxa-10-azacyclododecane
CID 545817
1,4,7,10-tetraoxa-13,16,19-triazacyclohenicosane
CID 10063702
ethane;morpholine
CID 91516807
1,4,7,10-tetraoxa-13,16-diazacyclooctadecane
CID 10706622
molecular iodine;morpholine
CID 11313835
magnesium;morpholine;bromide
CID 173330219

Frequently Asked Questions

What is the IUPAC name of 1,3,6,2-dioxazasilocane?
The IUPAC name of 1,3,6,2-dioxazasilocane (CID 152746291) is 1,3,6,2-dioxazasilocane.
What is the SMILES notation for 1,3,6,2-dioxazasilocane?
The canonical SMILES for 1,3,6,2-dioxazasilocane is C1CO[SiH2]OCCN1.
What is the InChIKey of 1,3,6,2-dioxazasilocane?
The InChIKey is IOTBKUSYJUXQGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO2Si/c1-3-6-8-7-4-2-5-1/h5H,1-4,8H2.
What are the key properties of 1,3,6,2-dioxazasilocane?
1,3,6,2-dioxazasilocane has a molecular weight of 133.22 g/mol, XLogP of -1.38, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,6,2-dioxazasilocane is sourced from PubChem (CID 152746291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).