hexylphosphonic acid;octylphosphonic acid

C14H34O6P2 — CID 155346901

IUPAChexylphosphonic acid;octylphosphonic acid
SMILESCCCCCCCCP(=O)(O)O.CCCCCCP(=O)(O)O
InChIInChI=1S/C8H19O3P.C6H15O3P/c1-2-3-4-5-6-7-8-12(9,10)11;1-2-3-4-5-6-10(7,8)9/h2-8H2,1H3,(H2,9,10,11);2-6H2,1H3,(H2,7,8,9)
InChIKeyHCVIPJLSFUQIGZ-UHFFFAOYSA-N
MW360.37 g/mol
LogP4.27
Rot. Bonds12

About hexylphosphonic acid;octylphosphonic acid

hexylphosphonic acid;octylphosphonic acid (PubChem CID 155346901) has the molecular formula C14H34O6P2 and a molecular weight of 360.37 g/mol. Its IUPAC name is hexylphosphonic acid;octylphosphonic acid.

Molecular Properties

Compound Namehexylphosphonic acid;octylphosphonic acid
PubChem CID155346901
Molecular FormulaC14H34O6P2
Molecular Weight360.37 g/mol
Exact Mass360.18
IUPAC Namehexylphosphonic acid;octylphosphonic acid
SMILESCCCCCCCCP(=O)(O)O.CCCCCCP(=O)(O)O
InChIInChI=1S/C8H19O3P.C6H15O3P/c1-2-3-4-5-6-7-8-12(9,10)11;1-2-3-4-5-6-10(7,8)9/h2-8H2,1H3,(H2,9,10,11);2-6H2,1H3,(H2,7,8,9)
InChIKeyHCVIPJLSFUQIGZ-UHFFFAOYSA-N
XLogP4.27
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 54.27
H-Bond Donors ≤ 54
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

dodecylphosphonic acid;phosphoric acid
CID 88779225
octadecylphosphonic acid;zirconium
CID 87308115
CID 86733794
CID 86733794
potassium;hexadecylphosphonic acid;hydride
CID 175356287
azane;pentylphosphonic acid
CID 173073704
butylphosphonic acid;neodymium
CID 134499527
5-phosphonopentylphosphonic acid
CID 2773804
potassium;butylphosphonic acid;hydride
CID 174388690
dimethyl-octadecyl-(12-phosphonododecyl)azanium bromide
CID 135367903
dodecane;phosphoric acid
CID 88801558
didodecylphosphinic acid;nickel
CID 87135872
didecylphosphinic acid;nickel
CID 87135973

Frequently Asked Questions

What is the IUPAC name of hexylphosphonic acid;octylphosphonic acid?
The IUPAC name of hexylphosphonic acid;octylphosphonic acid (CID 155346901) is hexylphosphonic acid;octylphosphonic acid.
What is the SMILES notation for hexylphosphonic acid;octylphosphonic acid?
The canonical SMILES for hexylphosphonic acid;octylphosphonic acid is CCCCCCCCP(=O)(O)O.CCCCCCP(=O)(O)O.
What is the InChIKey of hexylphosphonic acid;octylphosphonic acid?
The InChIKey is HCVIPJLSFUQIGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19O3P.C6H15O3P/c1-2-3-4-5-6-7-8-12(9,10)11;1-2-3-4-5-6-10(7,8)9/h2-8H2,1H3,(H2,9,10,11);2-6H2,1H3,(H2,7,8,9).
What are the key properties of hexylphosphonic acid;octylphosphonic acid?
hexylphosphonic acid;octylphosphonic acid has a molecular weight of 360.37 g/mol, XLogP of 4.27, 12 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hexylphosphonic acid;octylphosphonic acid is sourced from PubChem (CID 155346901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).