dipotassium;2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl dihydrogen phosphate

C20H43K2O9P+2 — CID 21118630

IUPACdipotassium;2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl dihydrogen phosphate
SMILESCCCCCCCCCCOCCOCCOCCOCCOCCOP(=O)(O)O.[K+].[K+]
InChIInChI=1S/C20H43O9P.2K/c1-2-3-4-5-6-7-8-9-10-24-11-12-25-13-14-26-15-16-27-17-18-28-19-20-29-30(21,22)23;;/h2-20H2,1H3,(H2,21,22,23);;/q;2*+1
InChIKeySQNHAXVEHGXIRM-UHFFFAOYSA-N
MW536.73 g/mol
LogP-2.67
Rot. Bonds25

About dipotassium;2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl dihydrogen phosphate

dipotassium;2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl dihydrogen phosphate (PubChem CID 21118630) has the molecular formula C20H43K2O9P+2 and a molecular weight of 536.73 g/mol. Its IUPAC name is dipotassium;2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl dihydrogen phosphate.

Molecular Properties

Compound Namedipotassium;2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl dihydrogen phosphate
PubChem CID21118630
Molecular FormulaC20H43K2O9P+2
Molecular Weight536.73 g/mol
Exact Mass536.19
IUPAC Namedipotassium;2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl dihydrogen phosphate
SMILESCCCCCCCCCCOCCOCCOCCOCCOCCOP(=O)(O)O.[K+].[K+]
InChIInChI=1S/C20H43O9P.2K/c1-2-3-4-5-6-7-8-9-10-24-11-12-25-13-14-26-15-16-27-17-18-28-19-20-29-30(21,22)23;;/h2-20H2,1H3,(H2,21,22,23);;/q;2*+1
InChIKeySQNHAXVEHGXIRM-UHFFFAOYSA-N
XLogP-2.67
TPSA112.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds25
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.73
LogP ≤ 5-2.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

2-(2-octadecoxyethoxy)ethyl dihydrogen phosphate
CID 72941562
bis(2-decoxyethyl) hydrogen phosphate
CID 13261719
bis(2-octadecoxyethyl) hydrogen phosphate
CID 57299614
octatriacontyl dihydrogen phosphate
CID 140979287
heptyl dihydrogen phosphate;octyl dihydrogen phosphate
CID 160757103
pentatriacontyl dihydrogen phosphate
CID 164897229
hexadecyl dihydrogen phosphate;tetradecyl dihydrogen phosphate
CID 159430233
dodecyl dihydrogen phosphate;indigane
CID 173026750
potassium;hydride;1-nonoxynonane;phosphoric acid
CID 173401675
azane;octadecyl dihydrogen phosphate
CID 87905459
CID 170842594
CID 170842594
hexyl dihydrogen phosphate;neodymium
CID 174801976

Frequently Asked Questions

What is the IUPAC name of dipotassium;2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl dihydrogen phosphate?
The IUPAC name of dipotassium;2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl dihydrogen phosphate (CID 21118630) is dipotassium;2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl dihydrogen phosphate.
What is the SMILES notation for dipotassium;2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl dihydrogen phosphate?
The canonical SMILES for dipotassium;2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl dihydrogen phosphate is CCCCCCCCCCOCCOCCOCCOCCOCCOP(=O)(O)O.[K+].[K+].
What is the InChIKey of dipotassium;2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl dihydrogen phosphate?
The InChIKey is SQNHAXVEHGXIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H43O9P.2K/c1-2-3-4-5-6-7-8-9-10-24-11-12-25-13-14-26-15-16-27-17-18-28-19-20-29-30(21,22)23;;/h2-20H2,1H3,(H2,21,22,23);;/q;2*+1.
What are the key properties of dipotassium;2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl dihydrogen phosphate?
dipotassium;2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl dihydrogen phosphate has a molecular weight of 536.73 g/mol, XLogP of -2.67, 25 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl dihydrogen phosphate is sourced from PubChem (CID 21118630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).