2,2-diethoxyoxasilirane

C5H12O3Si — CID 140622651

IUPAC2,2-diethoxyoxasilirane
SMILESCCO[Si]1(OCC)CO1
InChIInChI=1S/C5H12O3Si/c1-3-6-9(5-8-9)7-4-2/h3-5H2,1-2H3
InChIKeyKLQXLNBBGQCSIF-UHFFFAOYSA-N
MW148.23 g/mol
LogP0.57
Rot. Bonds4

About 2,2-diethoxyoxasilirane

2,2-diethoxyoxasilirane (PubChem CID 140622651) has the molecular formula C5H12O3Si and a molecular weight of 148.23 g/mol. Its IUPAC name is 2,2-diethoxyoxasilirane.

Molecular Properties

Compound Name2,2-diethoxyoxasilirane
PubChem CID140622651
Molecular FormulaC5H12O3Si
Molecular Weight148.23 g/mol
Exact Mass148.06
IUPAC Name2,2-diethoxyoxasilirane
SMILESCCO[Si]1(OCC)CO1
InChIInChI=1S/C5H12O3Si/c1-3-6-9(5-8-9)7-4-2/h3-5H2,1-2H3
InChIKeyKLQXLNBBGQCSIF-UHFFFAOYSA-N
XLogP0.57
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.23
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,5-diethoxy-2,5-dimethyl-1,4,2,5-dioxadisilinane
CID 90308478
2,2-diethoxy-4-methyloxasilolane
CID 67389394
2,2,7,7-tetraethoxy-3,6-dihydro-1,2,7-oxadisilepine
CID 100950891
1-ethoxy-4-methyl-2,6,7-trioxa-1-silabicyclo[2.2.2]octane
CID 123748084
2,2-diethoxy-6-methyl-1,6,2-oxazasilocane
CID 140723407
3,3,6,6-tetraethoxy-1,2,4,5,3,6-tetraoxadisilinane
CID 11066533
2,2-diethoxy-8-methyl-1,8,2-oxazasilecane
CID 140723416
5,6-dichloro-2,2-diethoxyoxasilinane
CID 66904915
1,4-diethoxy-1,4-dimethyl-1,4-disilinane
CID 140867723
2,2,6-triethoxyoxasilinane-6-thiol
CID 175099563
2,2-diethoxy-4,4-dimethyl-1,3,2-dioxasilinane
CID 13268656
CID 136832623
CID 136832623

Frequently Asked Questions

What is the IUPAC name of 2,2-diethoxyoxasilirane?
The IUPAC name of 2,2-diethoxyoxasilirane (CID 140622651) is 2,2-diethoxyoxasilirane.
What is the SMILES notation for 2,2-diethoxyoxasilirane?
The canonical SMILES for 2,2-diethoxyoxasilirane is CCO[Si]1(OCC)CO1.
What is the InChIKey of 2,2-diethoxyoxasilirane?
The InChIKey is KLQXLNBBGQCSIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O3Si/c1-3-6-9(5-8-9)7-4-2/h3-5H2,1-2H3.
What are the key properties of 2,2-diethoxyoxasilirane?
2,2-diethoxyoxasilirane has a molecular weight of 148.23 g/mol, XLogP of 0.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethoxyoxasilirane is sourced from PubChem (CID 140622651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).