2-phosphonononan-2-ylphosphonic acid

C9H22O6P2 — CID 141214497

IUPAC2-phosphonononan-2-ylphosphonic acid
SMILESCCCCCCCC(C)(P(=O)(O)O)P(=O)(O)O
InChIInChI=1S/C9H22O6P2/c1-3-4-5-6-7-8-9(2,16(10,11)12)17(13,14)15/h3-8H2,1-2H3,(H2,10,11,12)(H2,13,14,15)
InChIKeyVBPKBCCVSNBNLR-UHFFFAOYSA-N
MW288.22 g/mol
LogP2.42
Rot. Bonds8

About 2-phosphonononan-2-ylphosphonic acid

2-phosphonononan-2-ylphosphonic acid (PubChem CID 141214497) has the molecular formula C9H22O6P2 and a molecular weight of 288.22 g/mol. Its IUPAC name is 2-phosphonononan-2-ylphosphonic acid.

Molecular Properties

Compound Name2-phosphonononan-2-ylphosphonic acid
PubChem CID141214497
Molecular FormulaC9H22O6P2
Molecular Weight288.22 g/mol
Exact Mass288.09
IUPAC Name2-phosphonononan-2-ylphosphonic acid
SMILESCCCCCCCC(C)(P(=O)(O)O)P(=O)(O)O
InChIInChI=1S/C9H22O6P2/c1-3-4-5-6-7-8-9(2,16(10,11)12)17(13,14)15/h3-8H2,1-2H3,(H2,10,11,12)(H2,13,14,15)
InChIKeyVBPKBCCVSNBNLR-UHFFFAOYSA-N
XLogP2.42
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.22
LogP ≤ 52.42
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

8-methylpentadecan-8-ylphosphonic acid
CID 134232288
8-heptylpentacosan-8-ylphosphonic acid
CID 151553369
(1-hydroxy-1-phosphonohenicosyl)phosphonic acid
CID 57218930
3-ethylicosan-3-ylphosphonic acid
CID 146503819
3-ethyldecan-3-ylphosphonic acid
CID 20522343
5,5-dibutylhexadecane;phosphoric acid
CID 175353536
dodecane;phosphoric acid
CID 88801558
tetrasodium;hydride;tetrakis((1-hydroxy-1-phosphonononyl)phosphonic acid)
CID 173412899
1,1-difluorohexylphosphonic acid
CID 87256620
bis(2-methylnonan-2-yl) hydrogen phosphate
CID 22497522
(1-hydroxy-1-phosphonooxytridecyl)phosphonic acid
CID 50992169
(2-heptyl-2-methylnonyl) dihydrogen phosphate
CID 174137085

Frequently Asked Questions

What is the IUPAC name of 2-phosphonononan-2-ylphosphonic acid?
The IUPAC name of 2-phosphonononan-2-ylphosphonic acid (CID 141214497) is 2-phosphonononan-2-ylphosphonic acid.
What is the SMILES notation for 2-phosphonononan-2-ylphosphonic acid?
The canonical SMILES for 2-phosphonononan-2-ylphosphonic acid is CCCCCCCC(C)(P(=O)(O)O)P(=O)(O)O.
What is the InChIKey of 2-phosphonononan-2-ylphosphonic acid?
The InChIKey is VBPKBCCVSNBNLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22O6P2/c1-3-4-5-6-7-8-9(2,16(10,11)12)17(13,14)15/h3-8H2,1-2H3,(H2,10,11,12)(H2,13,14,15).
What are the key properties of 2-phosphonononan-2-ylphosphonic acid?
2-phosphonononan-2-ylphosphonic acid has a molecular weight of 288.22 g/mol, XLogP of 2.42, 8 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phosphonononan-2-ylphosphonic acid is sourced from PubChem (CID 141214497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).