cyclobuten-1-yl dihydrogen phosphate

C4H7O4P — CID 150920090

IUPACcyclobuten-1-yl dihydrogen phosphate
SMILESO=P(O)(O)OC1=CCC1
InChIInChI=1S/C4H7O4P/c5-9(6,7)8-4-2-1-3-4/h2H,1,3H2,(H2,5,6,7)
InChIKeyLDVOGXIEYINFQT-UHFFFAOYSA-N
MW150.07 g/mol
LogP0.77
Rot. Bonds2

About cyclobuten-1-yl dihydrogen phosphate

cyclobuten-1-yl dihydrogen phosphate (PubChem CID 150920090) has the molecular formula C4H7O4P and a molecular weight of 150.07 g/mol. Its IUPAC name is cyclobuten-1-yl dihydrogen phosphate.

Molecular Properties

Compound Namecyclobuten-1-yl dihydrogen phosphate
PubChem CID150920090
Molecular FormulaC4H7O4P
Molecular Weight150.07 g/mol
Exact Mass150.01
IUPAC Namecyclobuten-1-yl dihydrogen phosphate
SMILESO=P(O)(O)OC1=CCC1
InChIInChI=1S/C4H7O4P/c5-9(6,7)8-4-2-1-3-4/h2H,1,3H2,(H2,5,6,7)
InChIKeyLDVOGXIEYINFQT-UHFFFAOYSA-N
XLogP0.77
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.07
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Cyclobuten-1-yl phosphono hydrogen phosphate
CID 150723922
1-Phosphorosooxycyclobutene
CID 157077393
Cyclobuten-1-yloxy-hydroxy-oxophosphanium
CID 174566956
Bromooxy-(cyclobuten-1-yloxy)-oxophosphanium
CID 174566959
Cyclobuten-1-yl dihydrogen phosphate;phosphoric acid
CID 174826583
Di(cyclobuten-1-yloxy)-oxophosphanium
CID 174912447

Frequently Asked Questions

What is the IUPAC name of cyclobuten-1-yl dihydrogen phosphate?
The IUPAC name of cyclobuten-1-yl dihydrogen phosphate (CID 150920090) is cyclobuten-1-yl dihydrogen phosphate.
What is the SMILES notation for cyclobuten-1-yl dihydrogen phosphate?
The canonical SMILES for cyclobuten-1-yl dihydrogen phosphate is O=P(O)(O)OC1=CCC1.
What is the InChIKey of cyclobuten-1-yl dihydrogen phosphate?
The InChIKey is LDVOGXIEYINFQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7O4P/c5-9(6,7)8-4-2-1-3-4/h2H,1,3H2,(H2,5,6,7).
What are the key properties of cyclobuten-1-yl dihydrogen phosphate?
cyclobuten-1-yl dihydrogen phosphate has a molecular weight of 150.07 g/mol, XLogP of 0.77, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobuten-1-yl dihydrogen phosphate is sourced from PubChem (CID 150920090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).