hexyl(octoxy)phosphinic acid

C14H31O3P — CID 139679739

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

About hexyl(octoxy)phosphinic acid

hexyl(octoxy)phosphinic acid (PubChem CID 139679739) has the molecular formula C14H31O3P and a molecular weight of 278.37 g/mol. Its IUPAC name is hexyl(octoxy)phosphinic acid.

Molecular Properties

Compound Namehexyl(octoxy)phosphinic acid
PubChem CID139679739
Molecular FormulaC14H31O3P
Molecular Weight278.37 g/mol
Exact Mass278.20
IUPAC Namehexyl(octoxy)phosphinic acid
SMILESCCCCCCCCOP(=O)(O)CCCCCC
InChIInChI=1S/C14H31O3P/c1-3-5-7-9-10-11-13-17-18(15,16)14-12-8-6-4-2/h3-14H2,1-2H3,(H,15,16)
InChIKeyITXAFDXPCLYZIG-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

Lauryl Phosphate
CID 75816
Myristyl Phosphate
CID 82327
Decyl phosphate
CID 62532
Dodecylphosphate
CID 1550836
Hexadecyl phosphate
CID 19059
Monotridecyl phosphate
CID 82161
Dioctyl phosphonate
CID 6328721
Didodecyl phosphate
CID 23467
Monostearyl phosphate
CID 76290
Monooctyl phosphate
CID 19892
Dimyristyl Phosphate
CID 81145
Phosphoric acid, decyl octyl ester
CID 109690

Frequently Asked Questions

What is the IUPAC name of hexyl(octoxy)phosphinic acid?
The IUPAC name of hexyl(octoxy)phosphinic acid (CID 139679739) is hexyl(octoxy)phosphinic acid.
What is the SMILES notation for hexyl(octoxy)phosphinic acid?
The canonical SMILES for hexyl(octoxy)phosphinic acid is CCCCCCCCOP(=O)(O)CCCCCC.
What is the InChIKey of hexyl(octoxy)phosphinic acid?
The InChIKey is ITXAFDXPCLYZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31O3P/c1-3-5-7-9-10-11-13-17-18(15,16)14-12-8-6-4-2/h3-14H2,1-2H3,(H,15,16).
What are the key properties of hexyl(octoxy)phosphinic acid?
hexyl(octoxy)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 hexyl(octoxy)phosphinic acid is sourced from PubChem (CID 139679739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).