decan-2-ylphosphonic acid

C10H23O3P — CID 22076607

IUPACdecan-2-ylphosphonic acid
SMILESCCCCCCCCC(C)P(=O)(O)O
InChIInChI=1S/C10H23O3P/c1-3-4-5-6-7-8-9-10(2)14(11,12)13/h10H,3-9H2,1-2H3,(H2,11,12,13)
InChIKeyMNUYBVMBZBUBQT-UHFFFAOYSA-N
MW222.26 g/mol
LogP3.30
Rot. Bonds8

About decan-2-ylphosphonic acid

decan-2-ylphosphonic acid (PubChem CID 22076607) has the molecular formula C10H23O3P and a molecular weight of 222.26 g/mol. Its IUPAC name is decan-2-ylphosphonic acid.

Molecular Properties

Compound Namedecan-2-ylphosphonic acid
PubChem CID22076607
Molecular FormulaC10H23O3P
Molecular Weight222.26 g/mol
Exact Mass222.14
IUPAC Namedecan-2-ylphosphonic acid
SMILESCCCCCCCCC(C)P(=O)(O)O
InChIInChI=1S/C10H23O3P/c1-3-4-5-6-7-8-9-10(2)14(11,12)13/h10H,3-9H2,1-2H3,(H2,11,12,13)
InChIKeyMNUYBVMBZBUBQT-UHFFFAOYSA-N
XLogP3.30
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 53.30
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

heptadecan-2-ylphosphonic acid
CID 86620819
octan-2-ylphosphonic acid
CID 18365588
2-hydroxyethyl(trimethyl)azanium;octadecan-2-ylphosphonic acid
CID 174495671
1-[hydroxy(undecan-2-yl)phosphoryl]hexylphosphonic acid
CID 91604537
CID 173084033
CID 173084033
1-phosphonododecylphosphonic acid
CID 6454178
1-phosphonoicosylphosphonic acid
CID 139609780
7,9-dimethylpentadecan-8-ylphosphonic acid
CID 54001139
hexatriacontan-18-ylphosphonic acid;neodymium
CID 159988610
nonan-3-ylphosphonic acid
CID 151472369
dodecane;phosphoric acid
CID 88801558
1-[hydroxy(methyl)phosphoryl]undecylphosphonic acid
CID 21054126

Frequently Asked Questions

What is the IUPAC name of decan-2-ylphosphonic acid?
The IUPAC name of decan-2-ylphosphonic acid (CID 22076607) is decan-2-ylphosphonic acid.
What is the SMILES notation for decan-2-ylphosphonic acid?
The canonical SMILES for decan-2-ylphosphonic acid is CCCCCCCCC(C)P(=O)(O)O.
What is the InChIKey of decan-2-ylphosphonic acid?
The InChIKey is MNUYBVMBZBUBQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23O3P/c1-3-4-5-6-7-8-9-10(2)14(11,12)13/h10H,3-9H2,1-2H3,(H2,11,12,13).
What are the key properties of decan-2-ylphosphonic acid?
decan-2-ylphosphonic acid has a molecular weight of 222.26 g/mol, XLogP of 3.30, 8 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for decan-2-ylphosphonic acid is sourced from PubChem (CID 22076607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).