10-iododecylphosphonic acid

C10H22IO3P — CID 87686645

IUPAC10-iododecylphosphonic acid
SMILESO=P(O)(O)CCCCCCCCCCI
InChIInChI=1S/C10H22IO3P/c11-9-7-5-3-1-2-4-6-8-10-15(12,13)14/h1-10H2,(H2,12,13,14)
InChIKeyDVYWDHCKVZSICK-UHFFFAOYSA-N
MW348.16 g/mol
LogP3.72
Rot. Bonds10

About 10-iododecylphosphonic acid

10-iododecylphosphonic acid (PubChem CID 87686645) has the molecular formula C10H22IO3P and a molecular weight of 348.16 g/mol. Its IUPAC name is 10-iododecylphosphonic acid.

Molecular Properties

Compound Name10-iododecylphosphonic acid
PubChem CID87686645
Molecular FormulaC10H22IO3P
Molecular Weight348.16 g/mol
Exact Mass348.04
IUPAC Name10-iododecylphosphonic acid
SMILESO=P(O)(O)CCCCCCCCCCI
InChIInChI=1S/C10H22IO3P/c11-9-7-5-3-1-2-4-6-8-10-15(12,13)14/h1-10H2,(H2,12,13,14)
InChIKeyDVYWDHCKVZSICK-UHFFFAOYSA-N
XLogP3.72
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.16
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

17-iodoheptadecylphosphonic acid
CID 87684337
7-iodoheptylphosphonic acid
CID 87684767
5-phosphonopentylphosphonic acid
CID 2773804
19-bromononadecylphosphonic acid
CID 87687011
38-bromooctatriacontylphosphonic acid
CID 87683541
24-sulfanyltetracosylphosphonic acid
CID 87685471
27-bromoheptacosylphosphonic acid
CID 87683484
11-bromoundecylphosphonic acid
CID 87683960
26-bromohexacosylphosphonic acid
CID 87681118
hexylphosphonic acid;octylphosphonic acid
CID 155346901
7-sulfanylheptylphosphonic acid
CID 87685663
5-bromopentylphosphonic acid
CID 22708594

Frequently Asked Questions

What is the IUPAC name of 10-iododecylphosphonic acid?
The IUPAC name of 10-iododecylphosphonic acid (CID 87686645) is 10-iododecylphosphonic acid.
What is the SMILES notation for 10-iododecylphosphonic acid?
The canonical SMILES for 10-iododecylphosphonic acid is O=P(O)(O)CCCCCCCCCCI.
What is the InChIKey of 10-iododecylphosphonic acid?
The InChIKey is DVYWDHCKVZSICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22IO3P/c11-9-7-5-3-1-2-4-6-8-10-15(12,13)14/h1-10H2,(H2,12,13,14).
What are the key properties of 10-iododecylphosphonic acid?
10-iododecylphosphonic acid has a molecular weight of 348.16 g/mol, XLogP of 3.72, 10 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-iododecylphosphonic acid is sourced from PubChem (CID 87686645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).