dodecylphosphonic acid;phosphoric acid

C12H30O7P2 — CID 88779225

IUPACdodecylphosphonic acid;phosphoric acid
SMILESCCCCCCCCCCCCP(=O)(O)O.O=P(O)(O)O
InChIInChI=1S/C12H27O3P.H3O4P/c1-2-3-4-5-6-7-8-9-10-11-12-16(13,14)15;1-5(2,3)4/h2-12H2,1H3,(H2,13,14,15);(H3,1,2,3,4)
InChIKeyHMJNSBUHWGFXMG-UHFFFAOYSA-N
MW348.31 g/mol
LogP3.16
Rot. Bonds11

About dodecylphosphonic acid;phosphoric acid

dodecylphosphonic acid;phosphoric acid (PubChem CID 88779225) has the molecular formula C12H30O7P2 and a molecular weight of 348.31 g/mol. Its IUPAC name is dodecylphosphonic acid;phosphoric acid.

Molecular Properties

Compound Namedodecylphosphonic acid;phosphoric acid
PubChem CID88779225
Molecular FormulaC12H30O7P2
Molecular Weight348.31 g/mol
Exact Mass348.15
IUPAC Namedodecylphosphonic acid;phosphoric acid
SMILESCCCCCCCCCCCCP(=O)(O)O.O=P(O)(O)O
InChIInChI=1S/C12H27O3P.H3O4P/c1-2-3-4-5-6-7-8-9-10-11-12-16(13,14)15;1-5(2,3)4/h2-12H2,1H3,(H2,13,14,15);(H3,1,2,3,4)
InChIKeyHMJNSBUHWGFXMG-UHFFFAOYSA-N
XLogP3.16
TPSA135.29 Ų
H-Bond Donors5
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.31
LogP ≤ 53.16
H-Bond Donors ≤ 55
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

hexylphosphonic acid;octylphosphonic acid
CID 155346901
octadecylphosphonic acid;zirconium
CID 87308115
CID 86733794
CID 86733794
potassium;hexadecylphosphonic acid;hydride
CID 175356287
azane;pentylphosphonic acid
CID 173073704
dodecane;phosphoric acid
CID 88801558
butylphosphonic acid;neodymium
CID 134499527
5-phosphonopentylphosphonic acid
CID 2773804
potassium;butylphosphonic acid;hydride
CID 174388690
dimethyl-octadecyl-(12-phosphonododecyl)azanium bromide
CID 135367903
ethane;henicosane;phosphoric acid;hydrate
CID 173085892
methane;pentadecane;phosphoric acid;hydrate
CID 173085689

Frequently Asked Questions

What is the IUPAC name of dodecylphosphonic acid;phosphoric acid?
The IUPAC name of dodecylphosphonic acid;phosphoric acid (CID 88779225) is dodecylphosphonic acid;phosphoric acid.
What is the SMILES notation for dodecylphosphonic acid;phosphoric acid?
The canonical SMILES for dodecylphosphonic acid;phosphoric acid is CCCCCCCCCCCCP(=O)(O)O.O=P(O)(O)O.
What is the InChIKey of dodecylphosphonic acid;phosphoric acid?
The InChIKey is HMJNSBUHWGFXMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27O3P.H3O4P/c1-2-3-4-5-6-7-8-9-10-11-12-16(13,14)15;1-5(2,3)4/h2-12H2,1H3,(H2,13,14,15);(H3,1,2,3,4).
What are the key properties of dodecylphosphonic acid;phosphoric acid?
dodecylphosphonic acid;phosphoric acid has a molecular weight of 348.31 g/mol, XLogP of 3.16, 11 rotatable bonds, 5 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dodecylphosphonic acid;phosphoric acid is sourced from PubChem (CID 88779225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).