dichloromethane;ethoxy(hexyl)phosphinic acid

C9H21Cl2O3P — CID 174578772

IUPACdichloromethane;ethoxy(hexyl)phosphinic acid
SMILESCCCCCCP(=O)(O)OCC.ClCCl
InChIInChI=1S/C8H19O3P.CH2Cl2/c1-3-5-6-7-8-12(9,10)11-4-2;2-1-3/h3-8H2,1-2H3,(H,9,10);1H2
InChIKeyACOJPYOSAVDDEK-UHFFFAOYSA-N
MW279.14 g/mol
LogP4.21
Rot. Bonds7

About dichloromethane;ethoxy(hexyl)phosphinic acid

dichloromethane;ethoxy(hexyl)phosphinic acid (PubChem CID 174578772) has the molecular formula C9H21Cl2O3P and a molecular weight of 279.14 g/mol. Its IUPAC name is dichloromethane;ethoxy(hexyl)phosphinic acid.

Molecular Properties

Compound Namedichloromethane;ethoxy(hexyl)phosphinic acid
PubChem CID174578772
Molecular FormulaC9H21Cl2O3P
Molecular Weight279.14 g/mol
Exact Mass278.06
IUPAC Namedichloromethane;ethoxy(hexyl)phosphinic acid
SMILESCCCCCCP(=O)(O)OCC.ClCCl
InChIInChI=1S/C8H19O3P.CH2Cl2/c1-3-5-6-7-8-12(9,10)11-4-2;2-1-3/h3-8H2,1-2H3,(H,9,10);1H2
InChIKeyACOJPYOSAVDDEK-UHFFFAOYSA-N
XLogP4.21
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.14
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

butane;ethoxy(hexyl)phosphinic acid
CID 174841560
ethoxy(hexyl)phosphinic acid;methanol;phosphoric acid
CID 174685262
6-(butylamino)hexyl-ethoxyphosphinic acid
CID 155661164
ethoxy-[3-(octylamino)propyl]phosphinic acid
CID 155661215
decoxy(decyl)phosphinic acid;iron
CID 87601920
dodecyl(nonoxy)phosphinic acid
CID 139947157
heptoxy(octadecyl)phosphinic acid
CID 139947141
hexyl(pentoxy)phosphinic acid
CID 139947056
ethoxy-[5-(tetradecanoylamino)pentyl]phosphinic acid
CID 85470252
10-[ethoxy(hydroxy)phosphoryl]decanoic acid
CID 22016460
butyl(decoxy)phosphinic acid
CID 139947140
butyl(hexoxy)phosphinic acid
CID 15271220

Frequently Asked Questions

What is the IUPAC name of dichloromethane;ethoxy(hexyl)phosphinic acid?
The IUPAC name of dichloromethane;ethoxy(hexyl)phosphinic acid (CID 174578772) is dichloromethane;ethoxy(hexyl)phosphinic acid.
What is the SMILES notation for dichloromethane;ethoxy(hexyl)phosphinic acid?
The canonical SMILES for dichloromethane;ethoxy(hexyl)phosphinic acid is CCCCCCP(=O)(O)OCC.ClCCl.
What is the InChIKey of dichloromethane;ethoxy(hexyl)phosphinic acid?
The InChIKey is ACOJPYOSAVDDEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19O3P.CH2Cl2/c1-3-5-6-7-8-12(9,10)11-4-2;2-1-3/h3-8H2,1-2H3,(H,9,10);1H2.
What are the key properties of dichloromethane;ethoxy(hexyl)phosphinic acid?
dichloromethane;ethoxy(hexyl)phosphinic acid has a molecular weight of 279.14 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dichloromethane;ethoxy(hexyl)phosphinic acid is sourced from PubChem (CID 174578772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).