butyl(prop-1-en-2-yloxy)phosphinic acid

C7H15O3P — CID 87154804

IUPACbutyl(prop-1-en-2-yloxy)phosphinic acid
SMILESC=C(C)OP(=O)(O)CCCC
InChIInChI=1S/C7H15O3P/c1-4-5-6-11(8,9)10-7(2)3/h2,4-6H2,1,3H3,(H,8,9)
InChIKeyBZRNIYZPUSBALE-UHFFFAOYSA-N
MW178.17 g/mol
LogP2.52
Rot. Bonds5

About butyl(prop-1-en-2-yloxy)phosphinic acid

butyl(prop-1-en-2-yloxy)phosphinic acid (PubChem CID 87154804) has the molecular formula C7H15O3P and a molecular weight of 178.17 g/mol. Its IUPAC name is butyl(prop-1-en-2-yloxy)phosphinic acid.

Molecular Properties

Compound Namebutyl(prop-1-en-2-yloxy)phosphinic acid
PubChem CID87154804
Molecular FormulaC7H15O3P
Molecular Weight178.17 g/mol
Exact Mass178.08
IUPAC Namebutyl(prop-1-en-2-yloxy)phosphinic acid
SMILESC=C(C)OP(=O)(O)CCCC
InChIInChI=1S/C7H15O3P/c1-4-5-6-11(8,9)10-7(2)3/h2,4-6H2,1,3H3,(H,8,9)
InChIKeyBZRNIYZPUSBALE-UHFFFAOYSA-N
XLogP2.52
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.17
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of butyl(prop-1-en-2-yloxy)phosphinic acid?
The IUPAC name of butyl(prop-1-en-2-yloxy)phosphinic acid (CID 87154804) is butyl(prop-1-en-2-yloxy)phosphinic acid.
What is the SMILES notation for butyl(prop-1-en-2-yloxy)phosphinic acid?
The canonical SMILES for butyl(prop-1-en-2-yloxy)phosphinic acid is C=C(C)OP(=O)(O)CCCC.
What is the InChIKey of butyl(prop-1-en-2-yloxy)phosphinic acid?
The InChIKey is BZRNIYZPUSBALE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15O3P/c1-4-5-6-11(8,9)10-7(2)3/h2,4-6H2,1,3H3,(H,8,9).
What are the key properties of butyl(prop-1-en-2-yloxy)phosphinic acid?
butyl(prop-1-en-2-yloxy)phosphinic acid has a molecular weight of 178.17 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butyl(prop-1-en-2-yloxy)phosphinic acid is sourced from PubChem (CID 87154804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).