5,5-diethyl-1,3,2-dioxaphosphinane

C7H15O2P — CID 89071560

IUPAC5,5-diethyl-1,3,2-dioxaphosphinane
SMILESCCC1(CC)COPOC1
InChIInChI=1S/C7H15O2P/c1-3-7(4-2)5-8-10-9-6-7/h10H,3-6H2,1-2H3
InChIKeyDEUQUQSZHSFYNP-UHFFFAOYSA-N
MW162.17 g/mol
LogP2.35
Rot. Bonds2

About 5,5-diethyl-1,3,2-dioxaphosphinane

5,5-diethyl-1,3,2-dioxaphosphinane (PubChem CID 89071560) has the molecular formula C7H15O2P and a molecular weight of 162.17 g/mol. Its IUPAC name is 5,5-diethyl-1,3,2-dioxaphosphinane.

Molecular Properties

Compound Name5,5-diethyl-1,3,2-dioxaphosphinane
PubChem CID89071560
Molecular FormulaC7H15O2P
Molecular Weight162.17 g/mol
Exact Mass162.08
IUPAC Name5,5-diethyl-1,3,2-dioxaphosphinane
SMILESCCC1(CC)COPOC1
InChIInChI=1S/C7H15O2P/c1-3-7(4-2)5-8-10-9-6-7/h10H,3-6H2,1-2H3
InChIKeyDEUQUQSZHSFYNP-UHFFFAOYSA-N
XLogP2.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.17
LogP ≤ 52.35
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 5,5-diethyl-1,3,2-dioxaphosphinane?
The IUPAC name of 5,5-diethyl-1,3,2-dioxaphosphinane (CID 89071560) is 5,5-diethyl-1,3,2-dioxaphosphinane.
What is the SMILES notation for 5,5-diethyl-1,3,2-dioxaphosphinane?
The canonical SMILES for 5,5-diethyl-1,3,2-dioxaphosphinane is CCC1(CC)COPOC1.
What is the InChIKey of 5,5-diethyl-1,3,2-dioxaphosphinane?
The InChIKey is DEUQUQSZHSFYNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15O2P/c1-3-7(4-2)5-8-10-9-6-7/h10H,3-6H2,1-2H3.
What are the key properties of 5,5-diethyl-1,3,2-dioxaphosphinane?
5,5-diethyl-1,3,2-dioxaphosphinane has a molecular weight of 162.17 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diethyl-1,3,2-dioxaphosphinane is sourced from PubChem (CID 89071560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).