but-1-enyl(propyl)phosphinic acid

C7H15O2P — CID 91503829

IUPACbut-1-enyl(propyl)phosphinic acid
SMILESCCC=CP(=O)(O)CCC
InChIInChI=1S/C7H15O2P/c1-3-5-7-10(8,9)6-4-2/h5,7H,3-4,6H2,1-2H3,(H,8,9)
InChIKeyLLSPLKVKXXPFTP-UHFFFAOYSA-N
MW162.17 g/mol
LogP2.59
Rot. Bonds4

About but-1-enyl(propyl)phosphinic acid

but-1-enyl(propyl)phosphinic acid (PubChem CID 91503829) has the molecular formula C7H15O2P and a molecular weight of 162.17 g/mol. Its IUPAC name is but-1-enyl(propyl)phosphinic acid.

Molecular Properties

Compound Namebut-1-enyl(propyl)phosphinic acid
PubChem CID91503829
Molecular FormulaC7H15O2P
Molecular Weight162.17 g/mol
Exact Mass162.08
IUPAC Namebut-1-enyl(propyl)phosphinic acid
SMILESCCC=CP(=O)(O)CCC
InChIInChI=1S/C7H15O2P/c1-3-5-7-10(8,9)6-4-2/h5,7H,3-4,6H2,1-2H3,(H,8,9)
InChIKeyLLSPLKVKXXPFTP-UHFFFAOYSA-N
XLogP2.59
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.17
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of but-1-enyl(propyl)phosphinic acid?
The IUPAC name of but-1-enyl(propyl)phosphinic acid (CID 91503829) is but-1-enyl(propyl)phosphinic acid.
What is the SMILES notation for but-1-enyl(propyl)phosphinic acid?
The canonical SMILES for but-1-enyl(propyl)phosphinic acid is CCC=CP(=O)(O)CCC.
What is the InChIKey of but-1-enyl(propyl)phosphinic acid?
The InChIKey is LLSPLKVKXXPFTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15O2P/c1-3-5-7-10(8,9)6-4-2/h5,7H,3-4,6H2,1-2H3,(H,8,9).
What are the key properties of but-1-enyl(propyl)phosphinic acid?
but-1-enyl(propyl)phosphinic acid has a molecular weight of 162.17 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for but-1-enyl(propyl)phosphinic acid is sourced from PubChem (CID 91503829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).