2-prop-2-enoxyethyl dihydrogen phosphate

C5H11O5P — CID 54473994

IUPAC2-prop-2-enoxyethyl dihydrogen phosphate
SMILESC=CCOCCOP(=O)(O)O
InChIInChI=1S/C5H11O5P/c1-2-3-9-4-5-10-11(6,7)8/h2H,1,3-5H2,(H2,6,7,8)
InChIKeyXKGWEDZVIQBOTM-UHFFFAOYSA-N
MW182.11 g/mol
LogP0.30
Rot. Bonds6

About 2-prop-2-enoxyethyl dihydrogen phosphate

2-prop-2-enoxyethyl dihydrogen phosphate (PubChem CID 54473994) has the molecular formula C5H11O5P and a molecular weight of 182.11 g/mol. Its IUPAC name is 2-prop-2-enoxyethyl dihydrogen phosphate.

Molecular Properties

Compound Name2-prop-2-enoxyethyl dihydrogen phosphate
PubChem CID54473994
Molecular FormulaC5H11O5P
Molecular Weight182.11 g/mol
Exact Mass182.03
IUPAC Name2-prop-2-enoxyethyl dihydrogen phosphate
SMILESC=CCOCCOP(=O)(O)O
InChIInChI=1S/C5H11O5P/c1-2-3-9-4-5-10-11(6,7)8/h2H,1,3-5H2,(H2,6,7,8)
InChIKeyXKGWEDZVIQBOTM-UHFFFAOYSA-N
XLogP0.30
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.11
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 2-prop-2-enoxyethyl dihydrogen phosphate?
The IUPAC name of 2-prop-2-enoxyethyl dihydrogen phosphate (CID 54473994) is 2-prop-2-enoxyethyl dihydrogen phosphate.
What is the SMILES notation for 2-prop-2-enoxyethyl dihydrogen phosphate?
The canonical SMILES for 2-prop-2-enoxyethyl dihydrogen phosphate is C=CCOCCOP(=O)(O)O.
What is the InChIKey of 2-prop-2-enoxyethyl dihydrogen phosphate?
The InChIKey is XKGWEDZVIQBOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11O5P/c1-2-3-9-4-5-10-11(6,7)8/h2H,1,3-5H2,(H2,6,7,8).
What are the key properties of 2-prop-2-enoxyethyl dihydrogen phosphate?
2-prop-2-enoxyethyl dihydrogen phosphate has a molecular weight of 182.11 g/mol, XLogP of 0.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enoxyethyl dihydrogen phosphate is sourced from PubChem (CID 54473994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).