cyclopent-3-en-1-yl dihydrogen phosphate

C5H9O4P — CID 141049077

IUPACcyclopent-3-en-1-yl dihydrogen phosphate
SMILESO=P(O)(O)OC1CC=CC1
InChIInChI=1S/C5H9O4P/c6-10(7,8)9-5-3-1-2-4-5/h1-2,5H,3-4H2,(H2,6,7,8)
InChIKeyZDXGLKXQNWXQKA-UHFFFAOYSA-N
MW164.10 g/mol
LogP0.81
Rot. Bonds2

About cyclopent-3-en-1-yl dihydrogen phosphate

cyclopent-3-en-1-yl dihydrogen phosphate (PubChem CID 141049077) has the molecular formula C5H9O4P and a molecular weight of 164.10 g/mol. Its IUPAC name is cyclopent-3-en-1-yl dihydrogen phosphate.

Molecular Properties

Compound Namecyclopent-3-en-1-yl dihydrogen phosphate
PubChem CID141049077
Molecular FormulaC5H9O4P
Molecular Weight164.10 g/mol
Exact Mass164.02
IUPAC Namecyclopent-3-en-1-yl dihydrogen phosphate
SMILESO=P(O)(O)OC1CC=CC1
InChIInChI=1S/C5H9O4P/c6-10(7,8)9-5-3-1-2-4-5/h1-2,5H,3-4H2,(H2,6,7,8)
InChIKeyZDXGLKXQNWXQKA-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-3-en-1-yl dihydrogen phosphate?
The IUPAC name of cyclopent-3-en-1-yl dihydrogen phosphate (CID 141049077) is cyclopent-3-en-1-yl dihydrogen phosphate.
What is the SMILES notation for cyclopent-3-en-1-yl dihydrogen phosphate?
The canonical SMILES for cyclopent-3-en-1-yl dihydrogen phosphate is O=P(O)(O)OC1CC=CC1.
What is the InChIKey of cyclopent-3-en-1-yl dihydrogen phosphate?
The InChIKey is ZDXGLKXQNWXQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9O4P/c6-10(7,8)9-5-3-1-2-4-5/h1-2,5H,3-4H2,(H2,6,7,8).
What are the key properties of cyclopent-3-en-1-yl dihydrogen phosphate?
cyclopent-3-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-3-en-1-yl dihydrogen phosphate is sourced from PubChem (CID 141049077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).