2-ethyl-1,3,2-dioxaphosphetane

C3H7O2P — CID 20782018

IUPAC2-ethyl-1,3,2-dioxaphosphetane
SMILESCCP1OCO1
InChIInChI=1S/C3H7O2P/c1-2-6-4-3-5-6/h2-3H2,1H3
InChIKeySTPFIRLPVZDZAC-UHFFFAOYSA-N
MW106.06 g/mol
LogP1.32
Rot. Bonds1

About 2-ethyl-1,3,2-dioxaphosphetane

2-ethyl-1,3,2-dioxaphosphetane (PubChem CID 20782018) has the molecular formula C3H7O2P and a molecular weight of 106.06 g/mol. Its IUPAC name is 2-ethyl-1,3,2-dioxaphosphetane.

Molecular Properties

Compound Name2-ethyl-1,3,2-dioxaphosphetane
PubChem CID20782018
Molecular FormulaC3H7O2P
Molecular Weight106.06 g/mol
Exact Mass106.02
IUPAC Name2-ethyl-1,3,2-dioxaphosphetane
SMILESCCP1OCO1
InChIInChI=1S/C3H7O2P/c1-2-6-4-3-5-6/h2-3H2,1H3
InChIKeySTPFIRLPVZDZAC-UHFFFAOYSA-N
XLogP1.32
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.06
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1,3,2-dioxaphosphetane?
The IUPAC name of 2-ethyl-1,3,2-dioxaphosphetane (CID 20782018) is 2-ethyl-1,3,2-dioxaphosphetane.
What is the SMILES notation for 2-ethyl-1,3,2-dioxaphosphetane?
The canonical SMILES for 2-ethyl-1,3,2-dioxaphosphetane is CCP1OCO1.
What is the InChIKey of 2-ethyl-1,3,2-dioxaphosphetane?
The InChIKey is STPFIRLPVZDZAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7O2P/c1-2-6-4-3-5-6/h2-3H2,1H3.
What are the key properties of 2-ethyl-1,3,2-dioxaphosphetane?
2-ethyl-1,3,2-dioxaphosphetane has a molecular weight of 106.06 g/mol, XLogP of 1.32, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1,3,2-dioxaphosphetane is sourced from PubChem (CID 20782018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).