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

C5H9ClO4P2 — CID 88709206

IUPAC3-chloro-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane
SMILESClP1OCC2(COPOC2)CO1
InChIInChI=1S/C5H9ClO4P2/c6-12-9-3-5(4-10-12)1-7-11-8-2-5/h11H,1-4H2
InChIKeyFSHWKNNHYOOWIM-UHFFFAOYSA-N
MW230.52 g/mol
LogP2.04
Rot. Bonds

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

3-chloro-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane (PubChem CID 88709206) has the molecular formula C5H9ClO4P2 and a molecular weight of 230.52 g/mol. Its IUPAC name is 3-chloro-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane.

Molecular Properties

Compound Name3-chloro-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane
PubChem CID88709206
Molecular FormulaC5H9ClO4P2
Molecular Weight230.52 g/mol
Exact Mass229.97
IUPAC Name3-chloro-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane
SMILESClP1OCC2(COPOC2)CO1
InChIInChI=1S/C5H9ClO4P2/c6-12-9-3-5(4-10-12)1-7-11-8-2-5/h11H,1-4H2
InChIKeyFSHWKNNHYOOWIM-UHFFFAOYSA-N
XLogP2.04
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.52
LogP ≤ 52.04
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-chloro-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane?
The IUPAC name of 3-chloro-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane (CID 88709206) is 3-chloro-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane.
What is the SMILES notation for 3-chloro-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane?
The canonical SMILES for 3-chloro-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane is ClP1OCC2(COPOC2)CO1.
What is the InChIKey of 3-chloro-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane?
The InChIKey is FSHWKNNHYOOWIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9ClO4P2/c6-12-9-3-5(4-10-12)1-7-11-8-2-5/h11H,1-4H2.
What are the key properties of 3-chloro-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane?
3-chloro-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane has a molecular weight of 230.52 g/mol, XLogP of 2.04, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane is sourced from PubChem (CID 88709206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).