butyl(decoxy)phosphinic acid

C14H31O3P — CID 139947140

IUPACbutyl(decoxy)phosphinic acid
SMILESCCCCCCCCCCOP(=O)(O)CCCC
InChIInChI=1S/C14H31O3P/c1-3-5-7-8-9-10-11-12-13-17-18(15,16)14-6-4-2/h3-14H2,1-2H3,(H,15,16)
InChIKeyGQFANXQXJAUKSB-UHFFFAOYSA-N
MW278.37 g/mol
LogP5.13
Rot. Bonds13

About butyl(decoxy)phosphinic acid

butyl(decoxy)phosphinic acid (PubChem CID 139947140) has the molecular formula C14H31O3P and a molecular weight of 278.37 g/mol. Its IUPAC name is butyl(decoxy)phosphinic acid.

Molecular Properties

Compound Namebutyl(decoxy)phosphinic acid
PubChem CID139947140
Molecular FormulaC14H31O3P
Molecular Weight278.37 g/mol
Exact Mass278.20
IUPAC Namebutyl(decoxy)phosphinic acid
SMILESCCCCCCCCCCOP(=O)(O)CCCC
InChIInChI=1S/C14H31O3P/c1-3-5-7-8-9-10-11-12-13-17-18(15,16)14-6-4-2/h3-14H2,1-2H3,(H,15,16)
InChIKeyGQFANXQXJAUKSB-UHFFFAOYSA-N
XLogP5.13
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.37
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

butyl(hexoxy)phosphinic acid
CID 15271220
heptoxy(octadecyl)phosphinic acid
CID 139947141
decoxy(decyl)phosphinic acid;iron
CID 87601920
dodecyl(nonoxy)phosphinic acid
CID 139947157
hexyl(pentoxy)phosphinic acid
CID 139947056
iron;[(Z)-octadec-9-enoxy]-[(Z)-octadec-9-enyl]phosphinic acid
CID 87602188
iron;octadecyl dihydrogen phosphate
CID 175059517
[(Z)-octadec-9-enoxy]-propylphosphinic acid
CID 139947162
3-[dodecoxy(hydroxy)phosphoryl]propylimino-iminoazanium
CID 71710907
decyl dodecyl hydrogen phosphate
CID 20810618
pentatriacontyl dihydrogen phosphate
CID 164897229
hexyl nonyl hydrogen phosphate
CID 23169649

Frequently Asked Questions

What is the IUPAC name of butyl(decoxy)phosphinic acid?
The IUPAC name of butyl(decoxy)phosphinic acid (CID 139947140) is butyl(decoxy)phosphinic acid.
What is the SMILES notation for butyl(decoxy)phosphinic acid?
The canonical SMILES for butyl(decoxy)phosphinic acid is CCCCCCCCCCOP(=O)(O)CCCC.
What is the InChIKey of butyl(decoxy)phosphinic acid?
The InChIKey is GQFANXQXJAUKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31O3P/c1-3-5-7-8-9-10-11-12-13-17-18(15,16)14-6-4-2/h3-14H2,1-2H3,(H,15,16).
What are the key properties of butyl(decoxy)phosphinic acid?
butyl(decoxy)phosphinic acid has a molecular weight of 278.37 g/mol, XLogP of 5.13, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butyl(decoxy)phosphinic acid is sourced from PubChem (CID 139947140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).