4,5-diethyl-1,3,2,4-dioxaphosphasilolane

C5H13O2PSi — CID 123419615

IUPAC4,5-diethyl-1,3,2,4-dioxaphosphasilolane
SMILESCCC1OPO[SiH]1CC
InChIInChI=1S/C5H13O2PSi/c1-3-5-6-8-7-9(5)4-2/h5,8-9H,3-4H2,1-2H3
InChIKeyZCKXKJDLTUGQQS-UHFFFAOYSA-N
MW164.22 g/mol
LogP1.60
Rot. Bonds2

About 4,5-diethyl-1,3,2,4-dioxaphosphasilolane

4,5-diethyl-1,3,2,4-dioxaphosphasilolane (PubChem CID 123419615) has the molecular formula C5H13O2PSi and a molecular weight of 164.22 g/mol. Its IUPAC name is 4,5-diethyl-1,3,2,4-dioxaphosphasilolane.

Molecular Properties

Compound Name4,5-diethyl-1,3,2,4-dioxaphosphasilolane
PubChem CID123419615
Molecular FormulaC5H13O2PSi
Molecular Weight164.22 g/mol
Exact Mass164.04
IUPAC Name4,5-diethyl-1,3,2,4-dioxaphosphasilolane
SMILESCCC1OPO[SiH]1CC
InChIInChI=1S/C5H13O2PSi/c1-3-5-6-8-7-9(5)4-2/h5,8-9H,3-4H2,1-2H3
InChIKeyZCKXKJDLTUGQQS-UHFFFAOYSA-N
XLogP1.60
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.22
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,5-diethyl-1,3,2,4-dioxaphosphasilolane?
The IUPAC name of 4,5-diethyl-1,3,2,4-dioxaphosphasilolane (CID 123419615) is 4,5-diethyl-1,3,2,4-dioxaphosphasilolane.
What is the SMILES notation for 4,5-diethyl-1,3,2,4-dioxaphosphasilolane?
The canonical SMILES for 4,5-diethyl-1,3,2,4-dioxaphosphasilolane is CCC1OPO[SiH]1CC.
What is the InChIKey of 4,5-diethyl-1,3,2,4-dioxaphosphasilolane?
The InChIKey is ZCKXKJDLTUGQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13O2PSi/c1-3-5-6-8-7-9(5)4-2/h5,8-9H,3-4H2,1-2H3.
What are the key properties of 4,5-diethyl-1,3,2,4-dioxaphosphasilolane?
4,5-diethyl-1,3,2,4-dioxaphosphasilolane has a molecular weight of 164.22 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diethyl-1,3,2,4-dioxaphosphasilolane is sourced from PubChem (CID 123419615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).