ethenyl(pent-1-en-3-yloxy)phosphinic acid

C7H13O3P — CID 88760244

IUPACethenyl(pent-1-en-3-yloxy)phosphinic acid
SMILESC=CC(CC)OP(=O)(O)C=C
InChIInChI=1S/C7H13O3P/c1-4-7(5-2)10-11(8,9)6-3/h4,6-7H,1,3,5H2,2H3,(H,8,9)
InChIKeySUXXUCKLRJXNQI-UHFFFAOYSA-N
MW176.15 g/mol
LogP2.30
Rot. Bonds5

About ethenyl(pent-1-en-3-yloxy)phosphinic acid

ethenyl(pent-1-en-3-yloxy)phosphinic acid (PubChem CID 88760244) has the molecular formula C7H13O3P and a molecular weight of 176.15 g/mol. Its IUPAC name is ethenyl(pent-1-en-3-yloxy)phosphinic acid.

Molecular Properties

Compound Nameethenyl(pent-1-en-3-yloxy)phosphinic acid
PubChem CID88760244
Molecular FormulaC7H13O3P
Molecular Weight176.15 g/mol
Exact Mass176.06
IUPAC Nameethenyl(pent-1-en-3-yloxy)phosphinic acid
SMILESC=CC(CC)OP(=O)(O)C=C
InChIInChI=1S/C7H13O3P/c1-4-7(5-2)10-11(8,9)6-3/h4,6-7H,1,3,5H2,2H3,(H,8,9)
InChIKeySUXXUCKLRJXNQI-UHFFFAOYSA-N
XLogP2.30
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.15
LogP ≤ 52.30
H-Bond Donors ≤ 51
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 ethenyl(pent-1-en-3-yloxy)phosphinic acid?
The IUPAC name of ethenyl(pent-1-en-3-yloxy)phosphinic acid (CID 88760244) is ethenyl(pent-1-en-3-yloxy)phosphinic acid.
What is the SMILES notation for ethenyl(pent-1-en-3-yloxy)phosphinic acid?
The canonical SMILES for ethenyl(pent-1-en-3-yloxy)phosphinic acid is C=CC(CC)OP(=O)(O)C=C.
What is the InChIKey of ethenyl(pent-1-en-3-yloxy)phosphinic acid?
The InChIKey is SUXXUCKLRJXNQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13O3P/c1-4-7(5-2)10-11(8,9)6-3/h4,6-7H,1,3,5H2,2H3,(H,8,9).
What are the key properties of ethenyl(pent-1-en-3-yloxy)phosphinic acid?
ethenyl(pent-1-en-3-yloxy)phosphinic acid has a molecular weight of 176.15 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl(pent-1-en-3-yloxy)phosphinic acid is sourced from PubChem (CID 88760244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).