3,9-dimethyl-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane

C7H14O4P2 — CID 22966639

IUPAC3,9-dimethyl-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane
SMILESCP1OCC2(CO1)COP(C)OC2
InChIInChI=1S/C7H14O4P2/c1-12-8-3-7(4-9-12)5-10-13(2)11-6-7/h3-6H2,1-2H3
InChIKeyUXEYDRRNZAKEOU-UHFFFAOYSA-N
MW224.13 g/mol
LogP1.95
Rot. Bonds

About 3,9-dimethyl-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane

3,9-dimethyl-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane (PubChem CID 22966639) has the molecular formula C7H14O4P2 and a molecular weight of 224.13 g/mol. Its IUPAC name is 3,9-dimethyl-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane.

Molecular Properties

Compound Name3,9-dimethyl-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane
PubChem CID22966639
Molecular FormulaC7H14O4P2
Molecular Weight224.13 g/mol
Exact Mass224.04
IUPAC Name3,9-dimethyl-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane
SMILESCP1OCC2(CO1)COP(C)OC2
InChIInChI=1S/C7H14O4P2/c1-12-8-3-7(4-9-12)5-10-13(2)11-6-7/h3-6H2,1-2H3
InChIKeyUXEYDRRNZAKEOU-UHFFFAOYSA-N
XLogP1.95
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.13
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,9-dimethyl-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane?
The IUPAC name of 3,9-dimethyl-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane (CID 22966639) is 3,9-dimethyl-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane.
What is the SMILES notation for 3,9-dimethyl-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane?
The canonical SMILES for 3,9-dimethyl-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane is CP1OCC2(CO1)COP(C)OC2.
What is the InChIKey of 3,9-dimethyl-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane?
The InChIKey is UXEYDRRNZAKEOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O4P2/c1-12-8-3-7(4-9-12)5-10-13(2)11-6-7/h3-6H2,1-2H3.
What are the key properties of 3,9-dimethyl-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane?
3,9-dimethyl-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane has a molecular weight of 224.13 g/mol, XLogP of 1.95, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9-dimethyl-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane is sourced from PubChem (CID 22966639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).