dihexylphosphinic acid;hexyl(propyl)phosphinic acid

C21H48O4P2 — CID 122574606

IUPACdihexylphosphinic acid;hexyl(propyl)phosphinic acid
SMILESCCCCCCP(=O)(O)CCC.CCCCCCP(=O)(O)CCCCCC
InChIInChI=1S/C12H27O2P.C9H21O2P/c1-3-5-7-9-11-15(13,14)12-10-8-6-4-2;1-3-5-6-7-9-12(10,11)8-4-2/h3-12H2,1-2H3,(H,13,14);3-9H2,1-2H3,(H,10,11)
InChIKeySPCDFVOSDRZNQS-UHFFFAOYSA-N
MW426.56 g/mol
LogP7.66
Rot. Bonds17

About dihexylphosphinic acid;hexyl(propyl)phosphinic acid

dihexylphosphinic acid;hexyl(propyl)phosphinic acid (PubChem CID 122574606) has the molecular formula C21H48O4P2 and a molecular weight of 426.56 g/mol. Its IUPAC name is dihexylphosphinic acid;hexyl(propyl)phosphinic acid.

Molecular Properties

Compound Namedihexylphosphinic acid;hexyl(propyl)phosphinic acid
PubChem CID122574606
Molecular FormulaC21H48O4P2
Molecular Weight426.56 g/mol
Exact Mass426.30
IUPAC Namedihexylphosphinic acid;hexyl(propyl)phosphinic acid
SMILESCCCCCCP(=O)(O)CCC.CCCCCCP(=O)(O)CCCCCC
InChIInChI=1S/C12H27O2P.C9H21O2P/c1-3-5-7-9-11-15(13,14)12-10-8-6-4-2;1-3-5-6-7-9-12(10,11)8-4-2/h3-12H2,1-2H3,(H,13,14);3-9H2,1-2H3,(H,10,11)
InChIKeySPCDFVOSDRZNQS-UHFFFAOYSA-N
XLogP7.66
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.56
LogP ≤ 57.66
H-Bond Donors ≤ 52
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

didodecylphosphinic acid;nickel
CID 87135872
didecylphosphinic acid;nickel
CID 87135973
dioctadecylphosphinic acid;nickel
CID 87136046
alumane;butyl(propyl)phosphinic acid
CID 174987333
3-[dodecyl(hydroxy)phosphoryl]propanoic acid
CID 19011094
hexylphosphonic acid;octylphosphonic acid
CID 155346901
1-didodecylphosphoryldodecane
CID 12543829
1-dihexylphosphorylhexane;1-dioctylphosphoryloctane
CID 121237547
magnesium;dipropylphosphinic acid;hydride
CID 175497166
dodecane;phosphoric acid
CID 88801558
2-[dodecyl(hydroxy)phosphoryl]acetic acid
CID 56691297
(3-chloro-3-oxopropyl)-hexylphosphinic acid;hydrochloride
CID 88803274

Frequently Asked Questions

What is the IUPAC name of dihexylphosphinic acid;hexyl(propyl)phosphinic acid?
The IUPAC name of dihexylphosphinic acid;hexyl(propyl)phosphinic acid (CID 122574606) is dihexylphosphinic acid;hexyl(propyl)phosphinic acid.
What is the SMILES notation for dihexylphosphinic acid;hexyl(propyl)phosphinic acid?
The canonical SMILES for dihexylphosphinic acid;hexyl(propyl)phosphinic acid is CCCCCCP(=O)(O)CCC.CCCCCCP(=O)(O)CCCCCC.
What is the InChIKey of dihexylphosphinic acid;hexyl(propyl)phosphinic acid?
The InChIKey is SPCDFVOSDRZNQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27O2P.C9H21O2P/c1-3-5-7-9-11-15(13,14)12-10-8-6-4-2;1-3-5-6-7-9-12(10,11)8-4-2/h3-12H2,1-2H3,(H,13,14);3-9H2,1-2H3,(H,10,11).
What are the key properties of dihexylphosphinic acid;hexyl(propyl)phosphinic acid?
dihexylphosphinic acid;hexyl(propyl)phosphinic acid has a molecular weight of 426.56 g/mol, XLogP of 7.66, 17 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dihexylphosphinic acid;hexyl(propyl)phosphinic acid is sourced from PubChem (CID 122574606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).