methyl(pent-4-enoxy)phosphinic acid

C6H13O3P — CID 141190498

IUPACmethyl(pent-4-enoxy)phosphinic acid
SMILESC=CCCCOP(C)(=O)O
InChIInChI=1S/C6H13O3P/c1-3-4-5-6-9-10(2,7)8/h3H,1,4-6H2,2H3,(H,7,8)
InChIKeyGDACMMPOGFGAMN-UHFFFAOYSA-N
MW164.14 g/mol
LogP1.78
Rot. Bonds5

About methyl(pent-4-enoxy)phosphinic acid

methyl(pent-4-enoxy)phosphinic acid (PubChem CID 141190498) has the molecular formula C6H13O3P and a molecular weight of 164.14 g/mol. Its IUPAC name is methyl(pent-4-enoxy)phosphinic acid.

Molecular Properties

Compound Namemethyl(pent-4-enoxy)phosphinic acid
PubChem CID141190498
Molecular FormulaC6H13O3P
Molecular Weight164.14 g/mol
Exact Mass164.06
IUPAC Namemethyl(pent-4-enoxy)phosphinic acid
SMILESC=CCCCOP(C)(=O)O
InChIInChI=1S/C6H13O3P/c1-3-4-5-6-9-10(2,7)8/h3H,1,4-6H2,2H3,(H,7,8)
InChIKeyGDACMMPOGFGAMN-UHFFFAOYSA-N
XLogP1.78
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.14
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 methyl(pent-4-enoxy)phosphinic acid?
The IUPAC name of methyl(pent-4-enoxy)phosphinic acid (CID 141190498) is methyl(pent-4-enoxy)phosphinic acid.
What is the SMILES notation for methyl(pent-4-enoxy)phosphinic acid?
The canonical SMILES for methyl(pent-4-enoxy)phosphinic acid is C=CCCCOP(C)(=O)O.
What is the InChIKey of methyl(pent-4-enoxy)phosphinic acid?
The InChIKey is GDACMMPOGFGAMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13O3P/c1-3-4-5-6-9-10(2,7)8/h3H,1,4-6H2,2H3,(H,7,8).
What are the key properties of methyl(pent-4-enoxy)phosphinic acid?
methyl(pent-4-enoxy)phosphinic acid has a molecular weight of 164.14 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl(pent-4-enoxy)phosphinic acid is sourced from PubChem (CID 141190498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).