5-phosphonopentylphosphonic acid

C5H14O6P2 — CID 2773804

IUPAC5-phosphonopentylphosphonic acid
SMILESO=P(O)(O)CCCCCP(=O)(O)O
InChIInChI=1S/C5H14O6P2/c6-12(7,8)4-2-1-3-5-13(9,10)11/h1-5H2,(H2,6,7,8)(H2,9,10,11)
InChIKeyQRKINCQKOGXVEO-UHFFFAOYSA-N
MW232.11 g/mol
LogP0.51
Rot. Bonds6

About 5-phosphonopentylphosphonic acid

5-phosphonopentylphosphonic acid (PubChem CID 2773804) has the molecular formula C5H14O6P2 and a molecular weight of 232.11 g/mol. Its IUPAC name is 5-phosphonopentylphosphonic acid.

Molecular Properties

Compound Name5-phosphonopentylphosphonic acid
PubChem CID2773804
Molecular FormulaC5H14O6P2
Molecular Weight232.11 g/mol
Exact Mass232.03
IUPAC Name5-phosphonopentylphosphonic acid
SMILESO=P(O)(O)CCCCCP(=O)(O)O
InChIInChI=1S/C5H14O6P2/c6-12(7,8)4-2-1-3-5-13(9,10)11/h1-5H2,(H2,6,7,8)(H2,9,10,11)
InChIKeyQRKINCQKOGXVEO-UHFFFAOYSA-N
XLogP0.51
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.11
LogP ≤ 50.51
H-Bond Donors ≤ 54
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

19-bromononadecylphosphonic acid
CID 87687011
17-iodoheptadecylphosphonic acid
CID 87684337
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
10-iododecylphosphonic acid
CID 87686645
7-iodoheptylphosphonic acid
CID 87684767

Frequently Asked Questions

What is the IUPAC name of 5-phosphonopentylphosphonic acid?
The IUPAC name of 5-phosphonopentylphosphonic acid (CID 2773804) is 5-phosphonopentylphosphonic acid.
What is the SMILES notation for 5-phosphonopentylphosphonic acid?
The canonical SMILES for 5-phosphonopentylphosphonic acid is O=P(O)(O)CCCCCP(=O)(O)O.
What is the InChIKey of 5-phosphonopentylphosphonic acid?
The InChIKey is QRKINCQKOGXVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14O6P2/c6-12(7,8)4-2-1-3-5-13(9,10)11/h1-5H2,(H2,6,7,8)(H2,9,10,11).
What are the key properties of 5-phosphonopentylphosphonic acid?
5-phosphonopentylphosphonic acid has a molecular weight of 232.11 g/mol, XLogP of 0.51, 6 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phosphonopentylphosphonic acid is sourced from PubChem (CID 2773804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).