nonan-3-ylphosphonic acid

C9H21O3P — CID 151472369

IUPACnonan-3-ylphosphonic acid
SMILESCCCCCCC(CC)P(=O)(O)O
InChIInChI=1S/C9H21O3P/c1-3-5-6-7-8-9(4-2)13(10,11)12/h9H,3-8H2,1-2H3,(H2,10,11,12)
InChIKeyPKTASJAWOBKDED-UHFFFAOYSA-N
MW208.24 g/mol
LogP2.91
Rot. Bonds7

About nonan-3-ylphosphonic acid

nonan-3-ylphosphonic acid (PubChem CID 151472369) has the molecular formula C9H21O3P and a molecular weight of 208.24 g/mol. Its IUPAC name is nonan-3-ylphosphonic acid.

Molecular Properties

Compound Namenonan-3-ylphosphonic acid
PubChem CID151472369
Molecular FormulaC9H21O3P
Molecular Weight208.24 g/mol
Exact Mass208.12
IUPAC Namenonan-3-ylphosphonic acid
SMILESCCCCCCC(CC)P(=O)(O)O
InChIInChI=1S/C9H21O3P/c1-3-5-6-7-8-9(4-2)13(10,11)12/h9H,3-8H2,1-2H3,(H2,10,11,12)
InChIKeyPKTASJAWOBKDED-UHFFFAOYSA-N
XLogP2.91
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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

hexatriacontan-18-ylphosphonic acid;neodymium
CID 159988610
1-phosphonododecan-2-ylphosphonic acid
CID 21074359
trimethyl(2-phosphonotetradecyl)azanium
CID 175292077
1-phosphonoicosylphosphonic acid
CID 139609780
1-phosphonododecylphosphonic acid
CID 6454178
decan-2-ylphosphonic acid
CID 22076607
heptadecan-2-ylphosphonic acid
CID 86620819
octan-2-ylphosphonic acid
CID 18365588
benzyl-dodecyl-dimethylazanium;octan-3-ylphosphonic acid;chloride
CID 174856066
2,17-dimethyloctadecan-9-ylphosphonic acid
CID 54179333
dodecane;phosphoric acid
CID 88801558
7,9-dimethylpentadecan-8-ylphosphonic acid
CID 54001139

Frequently Asked Questions

What is the IUPAC name of nonan-3-ylphosphonic acid?
The IUPAC name of nonan-3-ylphosphonic acid (CID 151472369) is nonan-3-ylphosphonic acid.
What is the SMILES notation for nonan-3-ylphosphonic acid?
The canonical SMILES for nonan-3-ylphosphonic acid is CCCCCCC(CC)P(=O)(O)O.
What is the InChIKey of nonan-3-ylphosphonic acid?
The InChIKey is PKTASJAWOBKDED-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21O3P/c1-3-5-6-7-8-9(4-2)13(10,11)12/h9H,3-8H2,1-2H3,(H2,10,11,12).
What are the key properties of nonan-3-ylphosphonic acid?
nonan-3-ylphosphonic acid has a molecular weight of 208.24 g/mol, XLogP of 2.91, 7 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for nonan-3-ylphosphonic acid is sourced from PubChem (CID 151472369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).