7-iodoheptylphosphonic acid

C7H16IO3P — CID 87684767

IUPAC7-iodoheptylphosphonic acid
SMILESO=P(O)(O)CCCCCCCI
InChIInChI=1S/C7H16IO3P/c8-6-4-2-1-3-5-7-12(9,10)11/h1-7H2,(H2,9,10,11)
InChIKeyWJRNPJHFCNRTHN-UHFFFAOYSA-N
MW306.08 g/mol
LogP2.55
Rot. Bonds7

About 7-iodoheptylphosphonic acid

7-iodoheptylphosphonic acid (PubChem CID 87684767) has the molecular formula C7H16IO3P and a molecular weight of 306.08 g/mol. Its IUPAC name is 7-iodoheptylphosphonic acid.

Molecular Properties

Compound Name7-iodoheptylphosphonic acid
PubChem CID87684767
Molecular FormulaC7H16IO3P
Molecular Weight306.08 g/mol
Exact Mass305.99
IUPAC Name7-iodoheptylphosphonic acid
SMILESO=P(O)(O)CCCCCCCI
InChIInChI=1S/C7H16IO3P/c8-6-4-2-1-3-5-7-12(9,10)11/h1-7H2,(H2,9,10,11)
InChIKeyWJRNPJHFCNRTHN-UHFFFAOYSA-N
XLogP2.55
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.08
LogP ≤ 52.55
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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Frequently Asked Questions

What is the IUPAC name of 7-iodoheptylphosphonic acid?
The IUPAC name of 7-iodoheptylphosphonic acid (CID 87684767) is 7-iodoheptylphosphonic acid.
What is the SMILES notation for 7-iodoheptylphosphonic acid?
The canonical SMILES for 7-iodoheptylphosphonic acid is O=P(O)(O)CCCCCCCI.
What is the InChIKey of 7-iodoheptylphosphonic acid?
The InChIKey is WJRNPJHFCNRTHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16IO3P/c8-6-4-2-1-3-5-7-12(9,10)11/h1-7H2,(H2,9,10,11).
What are the key properties of 7-iodoheptylphosphonic acid?
7-iodoheptylphosphonic acid has a molecular weight of 306.08 g/mol, XLogP of 2.55, 7 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-iodoheptylphosphonic acid is sourced from PubChem (CID 87684767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).