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

C5H10O4P2 — CID 19026043

IUPAC2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane
SMILESC1OPOCC12COPOC2
InChIInChI=1S/C5H10O4P2/c1-5(2-7-10-6-1)3-8-11-9-4-5/h10-11H,1-4H2
InChIKeyJWOWIZVDYKUULJ-UHFFFAOYSA-N
MW196.08 g/mol
LogP1.08
Rot. Bonds

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

2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane (PubChem CID 19026043) has the molecular formula C5H10O4P2 and a molecular weight of 196.08 g/mol. Its IUPAC name is 2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane.

Molecular Properties

Compound Name2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane
PubChem CID19026043
Molecular FormulaC5H10O4P2
Molecular Weight196.08 g/mol
Exact Mass196.01
IUPAC Name2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane
SMILESC1OPOCC12COPOC2
InChIInChI=1S/C5H10O4P2/c1-5(2-7-10-6-1)3-8-11-9-4-5/h10-11H,1-4H2
InChIKeyJWOWIZVDYKUULJ-UHFFFAOYSA-N
XLogP1.08
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.08
LogP ≤ 51.08
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 2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane?
The IUPAC name of 2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane (CID 19026043) is 2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane.
What is the SMILES notation for 2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane?
The canonical SMILES for 2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane is C1OPOCC12COPOC2.
What is the InChIKey of 2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane?
The InChIKey is JWOWIZVDYKUULJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O4P2/c1-5(2-7-10-6-1)3-8-11-9-4-5/h10-11H,1-4H2.
What are the key properties of 2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane?
2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane has a molecular weight of 196.08 g/mol, XLogP of 1.08, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane is sourced from PubChem (CID 19026043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).