ethyl prop-2-enyl hydrogen phosphate

C5H11O4P — CID 19046892

IUPACethyl prop-2-enyl hydrogen phosphate
SMILESC=CCOP(=O)(O)OCC
InChIInChI=1S/C5H11O4P/c1-3-5-9-10(6,7)8-4-2/h3H,1,4-5H2,2H3,(H,6,7)
InChIKeyNAVXKMGKWMRRIL-UHFFFAOYSA-N
MW166.11 g/mol
LogP1.33
Rot. Bonds5

About ethyl prop-2-enyl hydrogen phosphate

ethyl prop-2-enyl hydrogen phosphate (PubChem CID 19046892) has the molecular formula C5H11O4P and a molecular weight of 166.11 g/mol. Its IUPAC name is ethyl prop-2-enyl hydrogen phosphate.

Molecular Properties

Compound Nameethyl prop-2-enyl hydrogen phosphate
PubChem CID19046892
Molecular FormulaC5H11O4P
Molecular Weight166.11 g/mol
Exact Mass166.04
IUPAC Nameethyl prop-2-enyl hydrogen phosphate
SMILESC=CCOP(=O)(O)OCC
InChIInChI=1S/C5H11O4P/c1-3-5-9-10(6,7)8-4-2/h3H,1,4-5H2,2H3,(H,6,7)
InChIKeyNAVXKMGKWMRRIL-UHFFFAOYSA-N
XLogP1.33
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.11
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 ethyl prop-2-enyl hydrogen phosphate?
The IUPAC name of ethyl prop-2-enyl hydrogen phosphate (CID 19046892) is ethyl prop-2-enyl hydrogen phosphate.
What is the SMILES notation for ethyl prop-2-enyl hydrogen phosphate?
The canonical SMILES for ethyl prop-2-enyl hydrogen phosphate is C=CCOP(=O)(O)OCC.
What is the InChIKey of ethyl prop-2-enyl hydrogen phosphate?
The InChIKey is NAVXKMGKWMRRIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11O4P/c1-3-5-9-10(6,7)8-4-2/h3H,1,4-5H2,2H3,(H,6,7).
What are the key properties of ethyl prop-2-enyl hydrogen phosphate?
ethyl prop-2-enyl hydrogen phosphate has a molecular weight of 166.11 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl prop-2-enyl hydrogen phosphate is sourced from PubChem (CID 19046892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).