11-bromoundecylphosphonic acid

C11H24BrO3P — CID 87683960

IUPAC11-bromoundecylphosphonic acid
SMILESO=P(O)(O)CCCCCCCCCCCBr
InChIInChI=1S/C11H24BrO3P/c12-10-8-6-4-2-1-3-5-7-9-11-16(13,14)15/h1-11H2,(H2,13,14,15)
InChIKeyJYJGUVBRUDLLLY-UHFFFAOYSA-N
MW315.19 g/mol
LogP4.07
Rot. Bonds11

About 11-bromoundecylphosphonic acid

11-bromoundecylphosphonic acid (PubChem CID 87683960) has the molecular formula C11H24BrO3P and a molecular weight of 315.19 g/mol. Its IUPAC name is 11-bromoundecylphosphonic acid.

Molecular Properties

Compound Name11-bromoundecylphosphonic acid
PubChem CID87683960
Molecular FormulaC11H24BrO3P
Molecular Weight315.19 g/mol
Exact Mass314.06
IUPAC Name11-bromoundecylphosphonic acid
SMILESO=P(O)(O)CCCCCCCCCCCBr
InChIInChI=1S/C11H24BrO3P/c12-10-8-6-4-2-1-3-5-7-9-11-16(13,14)15/h1-11H2,(H2,13,14,15)
InChIKeyJYJGUVBRUDLLLY-UHFFFAOYSA-N
XLogP4.07
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.19
LogP ≤ 54.07
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': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

19-bromononadecylphosphonic acid
CID 87687011
38-bromooctatriacontylphosphonic acid
CID 87683541
27-bromoheptacosylphosphonic acid
CID 87683484
26-bromohexacosylphosphonic acid
CID 87681118
5-bromopentylphosphonic acid
CID 22708594
5-phosphonopentylphosphonic acid
CID 2773804
7-sulfanylheptylphosphonic acid
CID 87685663
hexylphosphonic acid;octylphosphonic acid
CID 155346901
24-sulfanyltetracosylphosphonic acid
CID 87685471
17-iodoheptadecylphosphonic acid
CID 87684337
10-iododecylphosphonic acid
CID 87686645
7-iodoheptylphosphonic acid
CID 87684767

Frequently Asked Questions

What is the IUPAC name of 11-bromoundecylphosphonic acid?
The IUPAC name of 11-bromoundecylphosphonic acid (CID 87683960) is 11-bromoundecylphosphonic acid.
What is the SMILES notation for 11-bromoundecylphosphonic acid?
The canonical SMILES for 11-bromoundecylphosphonic acid is O=P(O)(O)CCCCCCCCCCCBr.
What is the InChIKey of 11-bromoundecylphosphonic acid?
The InChIKey is JYJGUVBRUDLLLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24BrO3P/c12-10-8-6-4-2-1-3-5-7-9-11-16(13,14)15/h1-11H2,(H2,13,14,15).
What are the key properties of 11-bromoundecylphosphonic acid?
11-bromoundecylphosphonic acid has a molecular weight of 315.19 g/mol, XLogP of 4.07, 11 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11-bromoundecylphosphonic acid is sourced from PubChem (CID 87683960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).