3-chloro-2,4,9-trioxa-3λ5-phosphaspiro[5.5]undecane 3-oxide

C7H12ClO4P — CID 170747255

IUPAC3-chloro-2,4,9-trioxa-3λ5-phosphaspiro[5.5]undecane 3-oxide
SMILESO=P1(Cl)OCC2(CCOCC2)CO1
InChIInChI=1S/C7H12ClO4P/c8-13(9)11-5-7(6-12-13)1-3-10-4-2-7/h1-6H2
InChIKeyPQOOGISIHWKZLC-UHFFFAOYSA-N
MW226.60 g/mol
LogP2.18
Rot. Bonds

About 3-chloro-2,4,9-trioxa-3λ5-phosphaspiro[5.5]undecane 3-oxide

3-chloro-2,4,9-trioxa-3λ5-phosphaspiro[5.5]undecane 3-oxide (PubChem CID 170747255) has the molecular formula C7H12ClO4P and a molecular weight of 226.60 g/mol. Its IUPAC name is 3-chloro-2,4,9-trioxa-3λ5-phosphaspiro[5.5]undecane 3-oxide.

Molecular Properties

Compound Name3-chloro-2,4,9-trioxa-3λ5-phosphaspiro[5.5]undecane 3-oxide
PubChem CID170747255
Molecular FormulaC7H12ClO4P
Molecular Weight226.60 g/mol
Exact Mass226.02
IUPAC Name3-chloro-2,4,9-trioxa-3λ5-phosphaspiro[5.5]undecane 3-oxide
SMILESO=P1(Cl)OCC2(CCOCC2)CO1
InChIInChI=1S/C7H12ClO4P/c8-13(9)11-5-7(6-12-13)1-3-10-4-2-7/h1-6H2
InChIKeyPQOOGISIHWKZLC-UHFFFAOYSA-N
XLogP2.18
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.60
LogP ≤ 52.18
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-2,4,9-trioxa-3λ5-phosphaspiro[5.5]undecane 3-oxide?
The IUPAC name of 3-chloro-2,4,9-trioxa-3λ5-phosphaspiro[5.5]undecane 3-oxide (CID 170747255) is 3-chloro-2,4,9-trioxa-3λ5-phosphaspiro[5.5]undecane 3-oxide.
What is the SMILES notation for 3-chloro-2,4,9-trioxa-3λ5-phosphaspiro[5.5]undecane 3-oxide?
The canonical SMILES for 3-chloro-2,4,9-trioxa-3λ5-phosphaspiro[5.5]undecane 3-oxide is O=P1(Cl)OCC2(CCOCC2)CO1.
What is the InChIKey of 3-chloro-2,4,9-trioxa-3λ5-phosphaspiro[5.5]undecane 3-oxide?
The InChIKey is PQOOGISIHWKZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12ClO4P/c8-13(9)11-5-7(6-12-13)1-3-10-4-2-7/h1-6H2.
What are the key properties of 3-chloro-2,4,9-trioxa-3λ5-phosphaspiro[5.5]undecane 3-oxide?
3-chloro-2,4,9-trioxa-3λ5-phosphaspiro[5.5]undecane 3-oxide has a molecular weight of 226.60 g/mol, XLogP of 2.18, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2,4,9-trioxa-3λ5-phosphaspiro[5.5]undecane 3-oxide is sourced from PubChem (CID 170747255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).