cyclopent-2-en-1-yl dihydrogen phosphate

C5H9O4P — CID 142680597

IUPACcyclopent-2-en-1-yl dihydrogen phosphate
SMILESO=P(O)(O)OC1C=CCC1
InChIInChI=1S/C5H9O4P/c6-10(7,8)9-5-3-1-2-4-5/h1,3,5H,2,4H2,(H2,6,7,8)
InChIKeyHFQLCJLFKGCFCB-UHFFFAOYSA-N
MW164.10 g/mol
LogP0.81
Rot. Bonds2

About cyclopent-2-en-1-yl dihydrogen phosphate

cyclopent-2-en-1-yl dihydrogen phosphate (PubChem CID 142680597) has the molecular formula C5H9O4P and a molecular weight of 164.10 g/mol. Its IUPAC name is cyclopent-2-en-1-yl dihydrogen phosphate.

Molecular Properties

Compound Namecyclopent-2-en-1-yl dihydrogen phosphate
PubChem CID142680597
Molecular FormulaC5H9O4P
Molecular Weight164.10 g/mol
Exact Mass164.02
IUPAC Namecyclopent-2-en-1-yl dihydrogen phosphate
SMILESO=P(O)(O)OC1C=CCC1
InChIInChI=1S/C5H9O4P/c6-10(7,8)9-5-3-1-2-4-5/h1,3,5H,2,4H2,(H2,6,7,8)
InChIKeyHFQLCJLFKGCFCB-UHFFFAOYSA-N
XLogP0.81
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.10
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclopent-2-en-1-yl dihydrogen phosphate?
The IUPAC name of cyclopent-2-en-1-yl dihydrogen phosphate (CID 142680597) is cyclopent-2-en-1-yl dihydrogen phosphate.
What is the SMILES notation for cyclopent-2-en-1-yl dihydrogen phosphate?
The canonical SMILES for cyclopent-2-en-1-yl dihydrogen phosphate is O=P(O)(O)OC1C=CCC1.
What is the InChIKey of cyclopent-2-en-1-yl dihydrogen phosphate?
The InChIKey is HFQLCJLFKGCFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9O4P/c6-10(7,8)9-5-3-1-2-4-5/h1,3,5H,2,4H2,(H2,6,7,8).
What are the key properties of cyclopent-2-en-1-yl dihydrogen phosphate?
cyclopent-2-en-1-yl dihydrogen phosphate has a molecular weight of 164.10 g/mol, XLogP of 0.81, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopent-2-en-1-yl dihydrogen phosphate is sourced from PubChem (CID 142680597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).