2,2-diethoxy-6-methyl-1,6,2-oxazasilocane

C10H23NO3Si — CID 140723407

IUPAC2,2-diethoxy-6-methyl-1,6,2-oxazasilocane
SMILESCCO[Si]1(OCC)CCCN(C)CCO1
InChIInChI=1S/C10H23NO3Si/c1-4-12-15(13-5-2)10-6-7-11(3)8-9-14-15/h4-10H2,1-3H3
InChIKeyORGPIKKEYCCXGB-UHFFFAOYSA-N
MW233.38 g/mol
LogP1.35
Rot. Bonds4

About 2,2-diethoxy-6-methyl-1,6,2-oxazasilocane

2,2-diethoxy-6-methyl-1,6,2-oxazasilocane (PubChem CID 140723407) has the molecular formula C10H23NO3Si and a molecular weight of 233.38 g/mol. Its IUPAC name is 2,2-diethoxy-6-methyl-1,6,2-oxazasilocane.

Molecular Properties

Compound Name2,2-diethoxy-6-methyl-1,6,2-oxazasilocane
PubChem CID140723407
Molecular FormulaC10H23NO3Si
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC Name2,2-diethoxy-6-methyl-1,6,2-oxazasilocane
SMILESCCO[Si]1(OCC)CCCN(C)CCO1
InChIInChI=1S/C10H23NO3Si/c1-4-12-15(13-5-2)10-6-7-11(3)8-9-14-15/h4-10H2,1-3H3
InChIKeyORGPIKKEYCCXGB-UHFFFAOYSA-N
XLogP1.35
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 2,2-diethoxy-6-methyl-1,6,2-oxazasilocane?
The IUPAC name of 2,2-diethoxy-6-methyl-1,6,2-oxazasilocane (CID 140723407) is 2,2-diethoxy-6-methyl-1,6,2-oxazasilocane.
What is the SMILES notation for 2,2-diethoxy-6-methyl-1,6,2-oxazasilocane?
The canonical SMILES for 2,2-diethoxy-6-methyl-1,6,2-oxazasilocane is CCO[Si]1(OCC)CCCN(C)CCO1.
What is the InChIKey of 2,2-diethoxy-6-methyl-1,6,2-oxazasilocane?
The InChIKey is ORGPIKKEYCCXGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO3Si/c1-4-12-15(13-5-2)10-6-7-11(3)8-9-14-15/h4-10H2,1-3H3.
What are the key properties of 2,2-diethoxy-6-methyl-1,6,2-oxazasilocane?
2,2-diethoxy-6-methyl-1,6,2-oxazasilocane has a molecular weight of 233.38 g/mol, XLogP of 1.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethoxy-6-methyl-1,6,2-oxazasilocane is sourced from PubChem (CID 140723407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).