but-3-enoxy(butyl)phosphinic acid

C8H17O3P — CID 87154754

IUPACbut-3-enoxy(butyl)phosphinic acid
SMILESC=CCCOP(=O)(O)CCCC
InChIInChI=1S/C8H17O3P/c1-3-5-7-11-12(9,10)8-6-4-2/h3H,1,4-8H2,2H3,(H,9,10)
InChIKeySMTNMXRHICECPE-UHFFFAOYSA-N
MW192.19 g/mol
LogP2.56
Rot. Bonds7

About but-3-enoxy(butyl)phosphinic acid

but-3-enoxy(butyl)phosphinic acid (PubChem CID 87154754) has the molecular formula C8H17O3P and a molecular weight of 192.19 g/mol. Its IUPAC name is but-3-enoxy(butyl)phosphinic acid.

Molecular Properties

Compound Namebut-3-enoxy(butyl)phosphinic acid
PubChem CID87154754
Molecular FormulaC8H17O3P
Molecular Weight192.19 g/mol
Exact Mass192.09
IUPAC Namebut-3-enoxy(butyl)phosphinic acid
SMILESC=CCCOP(=O)(O)CCCC
InChIInChI=1S/C8H17O3P/c1-3-5-7-11-12(9,10)8-6-4-2/h3H,1,4-8H2,2H3,(H,9,10)
InChIKeySMTNMXRHICECPE-UHFFFAOYSA-N
XLogP2.56
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.19
LogP ≤ 52.56
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'}

Analyze but-3-enoxy(butyl)phosphinic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

butyl(decoxy)phosphinic acid
CID 139947140
butyl(hexoxy)phosphinic acid
CID 15271220
ethoxy(hept-6-enyl)phosphinic acid
CID 57098735
decoxy(decyl)phosphinic acid;iron
CID 87601920
dodecyl(nonoxy)phosphinic acid
CID 139947157
heptoxy(octadecyl)phosphinic acid
CID 139947141
hexyl(pentoxy)phosphinic acid
CID 139947056
iron;[(Z)-octadec-9-enoxy]-[(Z)-octadec-9-enyl]phosphinic acid
CID 87602188
but-3-enoxy(2,2,2-trifluoroethyl)phosphinic acid
CID 175706388
[(Z)-octadec-9-enoxy]-propylphosphinic acid
CID 139947162
hexadec-1-ene;phosphoric acid
CID 172734744
ethenoxy(pentyl)phosphinic acid
CID 87577957

Frequently Asked Questions

What is the IUPAC name of but-3-enoxy(butyl)phosphinic acid?
The IUPAC name of but-3-enoxy(butyl)phosphinic acid (CID 87154754) is but-3-enoxy(butyl)phosphinic acid.
What is the SMILES notation for but-3-enoxy(butyl)phosphinic acid?
The canonical SMILES for but-3-enoxy(butyl)phosphinic acid is C=CCCOP(=O)(O)CCCC.
What is the InChIKey of but-3-enoxy(butyl)phosphinic acid?
The InChIKey is SMTNMXRHICECPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17O3P/c1-3-5-7-11-12(9,10)8-6-4-2/h3H,1,4-8H2,2H3,(H,9,10).
What are the key properties of but-3-enoxy(butyl)phosphinic acid?
but-3-enoxy(butyl)phosphinic acid has a molecular weight of 192.19 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for but-3-enoxy(butyl)phosphinic acid is sourced from PubChem (CID 87154754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).