2-phosphonodecanoic acid

C10H21O5P — CID 5092142

IUPAC2-phosphonodecanoic acid
SMILESCCCCCCCCC(C(=O)O)P(=O)(O)O
InChIInChI=1S/C10H21O5P/c1-2-3-4-5-6-7-8-9(10(11)12)16(13,14)15/h9H,2-8H2,1H3,(H,11,12)(H2,13,14,15)
InChIKeyQCAOXEJHHFDENQ-UHFFFAOYSA-N
MW252.25 g/mol
LogP2.37
Rot. Bonds9

About 2-phosphonodecanoic acid

2-phosphonodecanoic acid (PubChem CID 5092142) has the molecular formula C10H21O5P and a molecular weight of 252.25 g/mol. Its IUPAC name is 2-phosphonodecanoic acid.

Molecular Properties

Compound Name2-phosphonodecanoic acid
PubChem CID5092142
Molecular FormulaC10H21O5P
Molecular Weight252.25 g/mol
Exact Mass252.11
IUPAC Name2-phosphonodecanoic acid
SMILESCCCCCCCCC(C(=O)O)P(=O)(O)O
InChIInChI=1S/C10H21O5P/c1-2-3-4-5-6-7-8-9(10(11)12)16(13,14)15/h9H,2-8H2,1H3,(H,11,12)(H2,13,14,15)
InChIKeyQCAOXEJHHFDENQ-UHFFFAOYSA-N
XLogP2.37
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.25
LogP ≤ 52.37
H-Bond Donors ≤ 53
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

(1-methoxy-1-oxoundecan-2-yl)phosphonic acid
CID 58108348
[1-(dioctylamino)-1-oxodecan-2-yl]phosphonic acid
CID 118059914
1-phosphonododecylphosphonic acid
CID 6454178
1-phosphonoicosylphosphonic acid
CID 139609780
7,9-dimethylpentadecan-8-ylphosphonic acid
CID 54001139
2-nonacosylpropanedioic acid
CID 19851286
2-octylpropanedioic acid
CID 12972
2-icosylpropanedioic acid
CID 11582738
decan-2-ylphosphonic acid
CID 22076607
heptadecan-2-ylphosphonic acid
CID 86620819
2-methyloctanoic acid chloride
CID 86745562
hexatriacontan-18-ylphosphonic acid;neodymium
CID 159988610

Frequently Asked Questions

What is the IUPAC name of 2-phosphonodecanoic acid?
The IUPAC name of 2-phosphonodecanoic acid (CID 5092142) is 2-phosphonodecanoic acid.
What is the SMILES notation for 2-phosphonodecanoic acid?
The canonical SMILES for 2-phosphonodecanoic acid is CCCCCCCCC(C(=O)O)P(=O)(O)O.
What is the InChIKey of 2-phosphonodecanoic acid?
The InChIKey is QCAOXEJHHFDENQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21O5P/c1-2-3-4-5-6-7-8-9(10(11)12)16(13,14)15/h9H,2-8H2,1H3,(H,11,12)(H2,13,14,15).
What are the key properties of 2-phosphonodecanoic acid?
2-phosphonodecanoic acid has a molecular weight of 252.25 g/mol, XLogP of 2.37, 9 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phosphonodecanoic acid is sourced from PubChem (CID 5092142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).