12-phosphorosododecylphosphonic acid

C12H26O4P2 — CID 174611370

IUPAC12-phosphorosododecylphosphonic acid
SMILESO=PCCCCCCCCCCCCP(=O)(O)O
InChIInChI=1S/C12H26O4P2/c13-17-11-9-7-5-3-1-2-4-6-8-10-12-18(14,15)16/h1-12H2,(H2,14,15,16)
InChIKeyZPIVOGRDGLQMAR-UHFFFAOYSA-N
MW296.28 g/mol
LogP4.36
Rot. Bonds13

About 12-phosphorosododecylphosphonic acid

12-phosphorosododecylphosphonic acid (PubChem CID 174611370) has the molecular formula C12H26O4P2 and a molecular weight of 296.28 g/mol. Its IUPAC name is 12-phosphorosododecylphosphonic acid.

Molecular Properties

Compound Name12-phosphorosododecylphosphonic acid
PubChem CID174611370
Molecular FormulaC12H26O4P2
Molecular Weight296.28 g/mol
Exact Mass296.13
IUPAC Name12-phosphorosododecylphosphonic acid
SMILESO=PCCCCCCCCCCCCP(=O)(O)O
InChIInChI=1S/C12H26O4P2/c13-17-11-9-7-5-3-1-2-4-6-8-10-12-18(14,15)16/h1-12H2,(H2,14,15,16)
InChIKeyZPIVOGRDGLQMAR-UHFFFAOYSA-N
XLogP4.36
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 54.36
H-Bond Donors ≤ 52
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

5-phosphonopentylphosphonic acid
CID 2773804
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
5-bromopentylphosphonic acid
CID 22708594
hexylphosphonic acid;octylphosphonic acid
CID 155346901
7-sulfanylheptylphosphonic acid
CID 87685663
10-iododecylphosphonic acid
CID 87686645

Frequently Asked Questions

What is the IUPAC name of 12-phosphorosododecylphosphonic acid?
The IUPAC name of 12-phosphorosododecylphosphonic acid (CID 174611370) is 12-phosphorosododecylphosphonic acid.
What is the SMILES notation for 12-phosphorosododecylphosphonic acid?
The canonical SMILES for 12-phosphorosododecylphosphonic acid is O=PCCCCCCCCCCCCP(=O)(O)O.
What is the InChIKey of 12-phosphorosododecylphosphonic acid?
The InChIKey is ZPIVOGRDGLQMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O4P2/c13-17-11-9-7-5-3-1-2-4-6-8-10-12-18(14,15)16/h1-12H2,(H2,14,15,16).
What are the key properties of 12-phosphorosododecylphosphonic acid?
12-phosphorosododecylphosphonic acid has a molecular weight of 296.28 g/mol, XLogP of 4.36, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-phosphorosododecylphosphonic acid is sourced from PubChem (CID 174611370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).