2-oxa-1λ5,3λ5-diphosphabicyclo[1.1.0]butane 1,3-dioxide

CH2O3P2 — CID 140978220

IUPAC2-oxa-1λ5,3λ5-diphosphabicyclo[1.1.0]butane 1,3-dioxide
SMILESO=P12CP1(=O)O2
InChIInChI=1S/CH2O3P2/c2-5-1-6(5,3)4-5/h1H2
InChIKeyNOWCJMINUCHNIC-UHFFFAOYSA-N
MW123.97 g/mol
LogP1.46
Rot. Bonds

About 2-oxa-1λ5,3λ5-diphosphabicyclo[1.1.0]butane 1,3-dioxide

2-oxa-1λ5,3λ5-diphosphabicyclo[1.1.0]butane 1,3-dioxide (PubChem CID 140978220) has the molecular formula CH2O3P2 and a molecular weight of 123.97 g/mol. Its IUPAC name is 2-oxa-1λ5,3λ5-diphosphabicyclo[1.1.0]butane 1,3-dioxide.

Molecular Properties

Compound Name2-oxa-1λ5,3λ5-diphosphabicyclo[1.1.0]butane 1,3-dioxide
PubChem CID140978220
Molecular FormulaCH2O3P2
Molecular Weight123.97 g/mol
Exact Mass123.95
IUPAC Name2-oxa-1λ5,3λ5-diphosphabicyclo[1.1.0]butane 1,3-dioxide
SMILESO=P12CP1(=O)O2
InChIInChI=1S/CH2O3P2/c2-5-1-6(5,3)4-5/h1H2
InChIKeyNOWCJMINUCHNIC-UHFFFAOYSA-N
XLogP1.46
TPSA46.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.97
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,7-dimethyl-1,3,6,8,2λ5,7λ5-tetraoxadiphosphecane 2,7-dioxide
CID 118422686
2,4,6,8,10,12,14,16-octaoxido-1,3,5,7,9,11,13,15-octaoxa-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5,14λ5,16λ5-octaphosphacyclohexadecane 2,4,6,8,10,12,14,16-octaoxide
CID 23421184
2,4,6,8,10,12,14,16,18,20-decaoxido-1,3,5,7,9,11,13,15,17,19-decaoxa-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5,14λ5,16λ5,18λ5,20λ5-decaphosphacycloicosane 2,4,6,8,10,12,14,16,18,20-decaoxide
CID 154734535
2,4-dihydroxy-1,3,5,2λ5,4λ5-trioxadiphosphinane 2,4-dioxide
CID 18459455
trisodium;2,4,6-trioxido-1,3,5,2lambda5,4lambda5,6lambda5-trioxatriphosphinane 2,4,6-trioxide
CID 24579
sodium tetrakis(2,4,6,8-tetraoxido-1,3,5,7,2λ5,4λ5,6λ5,8λ5-tetraoxatetraphosphocane 2,4,6,8-tetraoxide)
CID 11499154
dioxosilane;2,4,6,8,9,10-hexaoxa-1λ5,3λ5,5λ5,7λ5-tetraphosphatricyclo[3.3.1.13,7]decane 1,3,5,7-tetraoxide
CID 164672889
2-methyl-1,3,2lambda5-dioxaphosphocane 2-oxide
CID 12579739
potassium;disodium;2,4,6-trioxido-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide
CID 139036456
methanol;2,4,6-trihydroxy-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide
CID 174239066
4,4-dimethyl-2,6-diphenyl-1,2λ5,6λ5-oxadiphosphinane 2,6-dioxide
CID 71329899
strontium;rubidium(1+);2,4,6-trioxido-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide;trihydrate
CID 139045774

Frequently Asked Questions

What is the IUPAC name of 2-oxa-1λ5,3λ5-diphosphabicyclo[1.1.0]butane 1,3-dioxide?
The IUPAC name of 2-oxa-1λ5,3λ5-diphosphabicyclo[1.1.0]butane 1,3-dioxide (CID 140978220) is 2-oxa-1λ5,3λ5-diphosphabicyclo[1.1.0]butane 1,3-dioxide.
What is the SMILES notation for 2-oxa-1λ5,3λ5-diphosphabicyclo[1.1.0]butane 1,3-dioxide?
The canonical SMILES for 2-oxa-1λ5,3λ5-diphosphabicyclo[1.1.0]butane 1,3-dioxide is O=P12CP1(=O)O2.
What is the InChIKey of 2-oxa-1λ5,3λ5-diphosphabicyclo[1.1.0]butane 1,3-dioxide?
The InChIKey is NOWCJMINUCHNIC-UHFFFAOYSA-N. The full InChI is InChI=1S/CH2O3P2/c2-5-1-6(5,3)4-5/h1H2.
What are the key properties of 2-oxa-1λ5,3λ5-diphosphabicyclo[1.1.0]butane 1,3-dioxide?
2-oxa-1λ5,3λ5-diphosphabicyclo[1.1.0]butane 1,3-dioxide has a molecular weight of 123.97 g/mol, XLogP of 1.46, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxa-1λ5,3λ5-diphosphabicyclo[1.1.0]butane 1,3-dioxide is sourced from PubChem (CID 140978220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).