2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethyl hydrogen phosphate

C20H42O8P- — CID 21116399

IUPAC2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethyl hydrogen phosphate
SMILESCCCCCCCCCCCCOCCOCCOCCOCCOP(=O)([O-])O
InChIInChI=1S/C20H43O8P/c1-2-3-4-5-6-7-8-9-10-11-12-24-13-14-25-15-16-26-17-18-27-19-20-28-29(21,22)23/h2-20H2,1H3,(H2,21,22,23)/p-1
InChIKeyPSBRNAUTQGUEPB-UHFFFAOYSA-M
MW441.52 g/mol
LogP3.45
Rot. Bonds24

About 2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethyl hydrogen phosphate

2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethyl hydrogen phosphate (PubChem CID 21116399) has the molecular formula C20H42O8P- and a molecular weight of 441.52 g/mol. Its IUPAC name is 2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethyl hydrogen phosphate.

Molecular Properties

Compound Name2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethyl hydrogen phosphate
PubChem CID21116399
Molecular FormulaC20H42O8P-
Molecular Weight441.52 g/mol
Exact Mass441.26
IUPAC Name2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethyl hydrogen phosphate
SMILESCCCCCCCCCCCCOCCOCCOCCOCCOP(=O)([O-])O
InChIInChI=1S/C20H43O8P/c1-2-3-4-5-6-7-8-9-10-11-12-24-13-14-25-15-16-26-17-18-27-19-20-28-29(21,22)23/h2-20H2,1H3,(H2,21,22,23)/p-1
InChIKeyPSBRNAUTQGUEPB-UHFFFAOYSA-M
XLogP3.45
TPSA106.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds24
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.52
LogP ≤ 53.45
H-Bond Donors ≤ 51
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-(2-tetradecoxyethoxy)ethoxy]ethyl hydrogen phosphate
CID 21121356
octacosyl hydrogen phosphate
CID 20569356
bis[2-(2-tridecoxyethoxy)ethyl] phosphate
CID 20977113
potassium;hexadecyl hydrogen phosphate;phosphoric acid
CID 162057892
bis(2-decoxyethyl) hydrogen phosphate
CID 13261719
bis(2-octadecoxyethyl) hydrogen phosphate
CID 57299614
2-(2-octadecoxyethoxy)ethyl dihydrogen phosphate
CID 72941562
dipotassium;1-dodecoxydodecane;hydrogen phosphate
CID 173239706
dipotassium;2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl dihydrogen phosphate
CID 21118630
2-heptadecoxyethyl methyl hydrogen phosphate
CID 175908043
sodium;ethane-1,1,1,2,2,2-hexol;tridecyl hydrogen phosphate
CID 175201146
trisodium;bis(2-(2-dodecoxyethoxy)ethanol);phosphate
CID 173332981

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethyl hydrogen phosphate?
The IUPAC name of 2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethyl hydrogen phosphate (CID 21116399) is 2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethyl hydrogen phosphate.
What is the SMILES notation for 2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethyl hydrogen phosphate?
The canonical SMILES for 2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethyl hydrogen phosphate is CCCCCCCCCCCCOCCOCCOCCOCCOP(=O)([O-])O.
What is the InChIKey of 2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethyl hydrogen phosphate?
The InChIKey is PSBRNAUTQGUEPB-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H43O8P/c1-2-3-4-5-6-7-8-9-10-11-12-24-13-14-25-15-16-26-17-18-27-19-20-28-29(21,22)23/h2-20H2,1H3,(H2,21,22,23)/p-1.
What are the key properties of 2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethyl hydrogen phosphate?
2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethyl hydrogen phosphate has a molecular weight of 441.52 g/mol, XLogP of 3.45, 24 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethyl hydrogen phosphate is sourced from PubChem (CID 21116399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).