[(E)-pent-3-en-2-yl] dihydrogen phosphate

C5H11O4P — CID 118958606

IUPAC[(E)-pent-3-en-2-yl] dihydrogen phosphate
SMILESC/C=C/C(C)OP(=O)(O)O
InChIInChI=1S/C5H11O4P/c1-3-4-5(2)9-10(6,7)8/h3-5H,1-2H3,(H2,6,7,8)/b4-3+
InChIKeyFJVSNRQYSBTTNP-ONEGZZNKSA-N
MW166.11 g/mol
LogP1.06
Rot. Bonds3

About [(E)-pent-3-en-2-yl] dihydrogen phosphate

[(E)-pent-3-en-2-yl] dihydrogen phosphate (PubChem CID 118958606) has the molecular formula C5H11O4P and a molecular weight of 166.11 g/mol. Its IUPAC name is [(E)-pent-3-en-2-yl] dihydrogen phosphate.

Molecular Properties

Compound Name[(E)-pent-3-en-2-yl] dihydrogen phosphate
PubChem CID118958606
Molecular FormulaC5H11O4P
Molecular Weight166.11 g/mol
Exact Mass166.04
IUPAC Name[(E)-pent-3-en-2-yl] dihydrogen phosphate
SMILESC/C=C/C(C)OP(=O)(O)O
InChIInChI=1S/C5H11O4P/c1-3-4-5(2)9-10(6,7)8/h3-5H,1-2H3,(H2,6,7,8)/b4-3+
InChIKeyFJVSNRQYSBTTNP-ONEGZZNKSA-N
XLogP1.06
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.11
LogP ≤ 51.06
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 [(E)-pent-3-en-2-yl] dihydrogen phosphate?
The IUPAC name of [(E)-pent-3-en-2-yl] dihydrogen phosphate (CID 118958606) is [(E)-pent-3-en-2-yl] dihydrogen phosphate.
What is the SMILES notation for [(E)-pent-3-en-2-yl] dihydrogen phosphate?
The canonical SMILES for [(E)-pent-3-en-2-yl] dihydrogen phosphate is C/C=C/C(C)OP(=O)(O)O.
What is the InChIKey of [(E)-pent-3-en-2-yl] dihydrogen phosphate?
The InChIKey is FJVSNRQYSBTTNP-ONEGZZNKSA-N. The full InChI is InChI=1S/C5H11O4P/c1-3-4-5(2)9-10(6,7)8/h3-5H,1-2H3,(H2,6,7,8)/b4-3+.
What are the key properties of [(E)-pent-3-en-2-yl] dihydrogen phosphate?
[(E)-pent-3-en-2-yl] dihydrogen phosphate has a molecular weight of 166.11 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-pent-3-en-2-yl] dihydrogen phosphate is sourced from PubChem (CID 118958606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).