2-ethylhexyl(1-iodooctan-2-yl)phosphinic acid

C16H34IO2P — CID 87933013

IUPAC2-ethylhexyl(1-iodooctan-2-yl)phosphinic acid
SMILESCCCCCCC(CI)P(=O)(O)CC(CC)CCCC
InChIInChI=1S/C16H34IO2P/c1-4-7-9-10-12-16(13-17)20(18,19)14-15(6-3)11-8-5-2/h15-16H,4-14H2,1-3H3,(H,18,19)
InChIKeyNYXBTSSPZDTPOX-UHFFFAOYSA-N
MW416.32 g/mol
LogP6.25
Rot. Bonds13

About 2-ethylhexyl(1-iodooctan-2-yl)phosphinic acid

2-ethylhexyl(1-iodooctan-2-yl)phosphinic acid (PubChem CID 87933013) has the molecular formula C16H34IO2P and a molecular weight of 416.32 g/mol. Its IUPAC name is 2-ethylhexyl(1-iodooctan-2-yl)phosphinic acid.

Molecular Properties

Compound Name2-ethylhexyl(1-iodooctan-2-yl)phosphinic acid
PubChem CID87933013
Molecular FormulaC16H34IO2P
Molecular Weight416.32 g/mol
Exact Mass416.13
IUPAC Name2-ethylhexyl(1-iodooctan-2-yl)phosphinic acid
SMILESCCCCCCC(CI)P(=O)(O)CC(CC)CCCC
InChIInChI=1S/C16H34IO2P/c1-4-7-9-10-12-16(13-17)20(18,19)14-15(6-3)11-8-5-2/h15-16H,4-14H2,1-3H3,(H,18,19)
InChIKeyNYXBTSSPZDTPOX-UHFFFAOYSA-N
XLogP6.25
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.32
LogP ≤ 56.25
H-Bond Donors ≤ 51
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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Related Compounds

2-ethylhexylphosphonic acid;hexadecylphosphonic acid
CID 88748715
decylphosphonic acid;2-ethylhexylphosphonic acid
CID 175591377
nonan-3-ylphosphonic acid
CID 151472369
1-phosphonododecan-2-ylphosphonic acid
CID 21074359
hexatriacontan-18-ylphosphonic acid;neodymium
CID 159988610
2-ethylhexylphosphonic acid;octan-2-yl nitrite
CID 160730008
bis(2-ethyloctyl) hydrogen phosphate
CID 15134822
18-(iodomethyl)hexatriacontane
CID 59202244
12-ethylhentriacontane
CID 91805956
15-ethyltetratriacontane
CID 23358557
3-ethylicosane
CID 528487
3-ethylpentacosane
CID 22224239

Frequently Asked Questions

What is the IUPAC name of 2-ethylhexyl(1-iodooctan-2-yl)phosphinic acid?
The IUPAC name of 2-ethylhexyl(1-iodooctan-2-yl)phosphinic acid (CID 87933013) is 2-ethylhexyl(1-iodooctan-2-yl)phosphinic acid.
What is the SMILES notation for 2-ethylhexyl(1-iodooctan-2-yl)phosphinic acid?
The canonical SMILES for 2-ethylhexyl(1-iodooctan-2-yl)phosphinic acid is CCCCCCC(CI)P(=O)(O)CC(CC)CCCC.
What is the InChIKey of 2-ethylhexyl(1-iodooctan-2-yl)phosphinic acid?
The InChIKey is NYXBTSSPZDTPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34IO2P/c1-4-7-9-10-12-16(13-17)20(18,19)14-15(6-3)11-8-5-2/h15-16H,4-14H2,1-3H3,(H,18,19).
What are the key properties of 2-ethylhexyl(1-iodooctan-2-yl)phosphinic acid?
2-ethylhexyl(1-iodooctan-2-yl)phosphinic acid has a molecular weight of 416.32 g/mol, XLogP of 6.25, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylhexyl(1-iodooctan-2-yl)phosphinic acid is sourced from PubChem (CID 87933013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).