2-ethylhexyl-[[hydroxy(methyl)phosphoryl]methyl]phosphinic acid

C10H24O4P2 — CID 118860014

IUPAC2-ethylhexyl-[[hydroxy(methyl)phosphoryl]methyl]phosphinic acid
SMILESCCCCC(CC)CP(=O)(O)CP(C)(=O)O
InChIInChI=1S/C10H24O4P2/c1-4-6-7-10(5-2)8-16(13,14)9-15(3,11)12/h10H,4-9H2,1-3H3,(H,11,12)(H,13,14)
InChIKeyOQFMKOLYKDSZAN-UHFFFAOYSA-N
MW270.25 g/mol
LogP3.33
Rot. Bonds8

About 2-ethylhexyl-[[hydroxy(methyl)phosphoryl]methyl]phosphinic acid

2-ethylhexyl-[[hydroxy(methyl)phosphoryl]methyl]phosphinic acid (PubChem CID 118860014) has the molecular formula C10H24O4P2 and a molecular weight of 270.25 g/mol. Its IUPAC name is 2-ethylhexyl-[[hydroxy(methyl)phosphoryl]methyl]phosphinic acid.

Molecular Properties

Compound Name2-ethylhexyl-[[hydroxy(methyl)phosphoryl]methyl]phosphinic acid
PubChem CID118860014
Molecular FormulaC10H24O4P2
Molecular Weight270.25 g/mol
Exact Mass270.11
IUPAC Name2-ethylhexyl-[[hydroxy(methyl)phosphoryl]methyl]phosphinic acid
SMILESCCCCC(CC)CP(=O)(O)CP(C)(=O)O
InChIInChI=1S/C10H24O4P2/c1-4-6-7-10(5-2)8-16(13,14)9-15(3,11)12/h10H,4-9H2,1-3H3,(H,11,12)(H,13,14)
InChIKeyOQFMKOLYKDSZAN-UHFFFAOYSA-N
XLogP3.33
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethylhexyl-[[hydroxy(methyl)phosphoryl]methyl]phosphinic acid?
The IUPAC name of 2-ethylhexyl-[[hydroxy(methyl)phosphoryl]methyl]phosphinic acid (CID 118860014) is 2-ethylhexyl-[[hydroxy(methyl)phosphoryl]methyl]phosphinic acid.
What is the SMILES notation for 2-ethylhexyl-[[hydroxy(methyl)phosphoryl]methyl]phosphinic acid?
The canonical SMILES for 2-ethylhexyl-[[hydroxy(methyl)phosphoryl]methyl]phosphinic acid is CCCCC(CC)CP(=O)(O)CP(C)(=O)O.
What is the InChIKey of 2-ethylhexyl-[[hydroxy(methyl)phosphoryl]methyl]phosphinic acid?
The InChIKey is OQFMKOLYKDSZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24O4P2/c1-4-6-7-10(5-2)8-16(13,14)9-15(3,11)12/h10H,4-9H2,1-3H3,(H,11,12)(H,13,14).
What are the key properties of 2-ethylhexyl-[[hydroxy(methyl)phosphoryl]methyl]phosphinic acid?
2-ethylhexyl-[[hydroxy(methyl)phosphoryl]methyl]phosphinic acid has a molecular weight of 270.25 g/mol, XLogP of 3.33, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylhexyl-[[hydroxy(methyl)phosphoryl]methyl]phosphinic acid is sourced from PubChem (CID 118860014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).