2,10-dioxa-1λ5-phosphabicyclo[5.3.0]deca-5,7-diene 1-oxide

C7H9O3P — CID 15535667

IUPAC2,10-dioxa-1λ5-phosphabicyclo[5.3.0]deca-5,7-diene 1-oxide
SMILESO=P12OCC=C1C=CCCO2
InChIInChI=1S/C7H9O3P/c8-11-7(4-6-10-11)3-1-2-5-9-11/h1,3-4H,2,5-6H2
InChIKeyHSLPMHISBLPNJB-UHFFFAOYSA-N
MW172.12 g/mol
LogP2.07
Rot. Bonds

About 2,10-dioxa-1λ5-phosphabicyclo[5.3.0]deca-5,7-diene 1-oxide

2,10-dioxa-1λ5-phosphabicyclo[5.3.0]deca-5,7-diene 1-oxide (PubChem CID 15535667) has the molecular formula C7H9O3P and a molecular weight of 172.12 g/mol. Its IUPAC name is 2,10-dioxa-1λ5-phosphabicyclo[5.3.0]deca-5,7-diene 1-oxide.

Molecular Properties

Compound Name2,10-dioxa-1λ5-phosphabicyclo[5.3.0]deca-5,7-diene 1-oxide
PubChem CID15535667
Molecular FormulaC7H9O3P
Molecular Weight172.12 g/mol
Exact Mass172.03
IUPAC Name2,10-dioxa-1λ5-phosphabicyclo[5.3.0]deca-5,7-diene 1-oxide
SMILESO=P12OCC=C1C=CCCO2
InChIInChI=1S/C7H9O3P/c8-11-7(4-6-10-11)3-1-2-5-9-11/h1,3-4H,2,5-6H2
InChIKeyHSLPMHISBLPNJB-UHFFFAOYSA-N
XLogP2.07
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.12
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-but-3-enoxy-3-ethenyl-5H-1,2lambda5-oxaphosphole 2-oxide
CID 15535668
[(3E)-hexa-3,5-dienoxy]-methylphosphinate
CID 20726646
2,11-Dioxa-1lambda5-phosphabicyclo[5.4.0]undeca-5,7-diene 1-oxide
CID 11367430

Frequently Asked Questions

What is the IUPAC name of 2,10-dioxa-1λ5-phosphabicyclo[5.3.0]deca-5,7-diene 1-oxide?
The IUPAC name of 2,10-dioxa-1λ5-phosphabicyclo[5.3.0]deca-5,7-diene 1-oxide (CID 15535667) is 2,10-dioxa-1λ5-phosphabicyclo[5.3.0]deca-5,7-diene 1-oxide.
What is the SMILES notation for 2,10-dioxa-1λ5-phosphabicyclo[5.3.0]deca-5,7-diene 1-oxide?
The canonical SMILES for 2,10-dioxa-1λ5-phosphabicyclo[5.3.0]deca-5,7-diene 1-oxide is O=P12OCC=C1C=CCCO2.
What is the InChIKey of 2,10-dioxa-1λ5-phosphabicyclo[5.3.0]deca-5,7-diene 1-oxide?
The InChIKey is HSLPMHISBLPNJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9O3P/c8-11-7(4-6-10-11)3-1-2-5-9-11/h1,3-4H,2,5-6H2.
What are the key properties of 2,10-dioxa-1λ5-phosphabicyclo[5.3.0]deca-5,7-diene 1-oxide?
2,10-dioxa-1λ5-phosphabicyclo[5.3.0]deca-5,7-diene 1-oxide has a molecular weight of 172.12 g/mol, XLogP of 2.07, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,10-dioxa-1λ5-phosphabicyclo[5.3.0]deca-5,7-diene 1-oxide is sourced from PubChem (CID 15535667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).