2-[2-(2-ethoxyethoxy)ethoxy]ethyl nonyl phenoxy phosphate

C23H41O8P — CID 122613247

IUPAC2-[2-(2-ethoxyethoxy)ethoxy]ethyl nonyl phenoxy phosphate
SMILESCCCCCCCCCOP(=O)(OCCOCCOCCOCC)OOc1ccccc1
InChIInChI=1S/C23H41O8P/c1-3-5-6-7-8-9-13-16-28-32(24,31-30-23-14-11-10-12-15-23)29-22-21-27-20-19-26-18-17-25-4-2/h10-12,14-15H,3-9,13,16-22H2,1-2H3
InChIKeyGTBMPIYHWVJEBQ-UHFFFAOYSA-N
MW476.55 g/mol
LogP5.96
Rot. Bonds23

About 2-[2-(2-ethoxyethoxy)ethoxy]ethyl nonyl phenoxy phosphate

2-[2-(2-ethoxyethoxy)ethoxy]ethyl nonyl phenoxy phosphate (PubChem CID 122613247) has the molecular formula C23H41O8P and a molecular weight of 476.55 g/mol. Its IUPAC name is 2-[2-(2-ethoxyethoxy)ethoxy]ethyl nonyl phenoxy phosphate.

Molecular Properties

Compound Name2-[2-(2-ethoxyethoxy)ethoxy]ethyl nonyl phenoxy phosphate
PubChem CID122613247
Molecular FormulaC23H41O8P
Molecular Weight476.55 g/mol
Exact Mass476.25
IUPAC Name2-[2-(2-ethoxyethoxy)ethoxy]ethyl nonyl phenoxy phosphate
SMILESCCCCCCCCCOP(=O)(OCCOCCOCCOCC)OOc1ccccc1
InChIInChI=1S/C23H41O8P/c1-3-5-6-7-8-9-13-16-28-32(24,31-30-23-14-11-10-12-15-23)29-22-21-27-20-19-26-18-17-25-4-2/h10-12,14-15H,3-9,13,16-22H2,1-2H3
InChIKeyGTBMPIYHWVJEBQ-UHFFFAOYSA-N
XLogP5.96
TPSA81.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds23
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.55
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2-ethoxyethoxy)ethoxy]ethyl naphthalen-1-yloxy pentadecyl phosphate
CID 122611702
hexyl diphenyl phosphate
CID 13389453
heptyl pentyl phenyl phosphate
CID 21454681
(4-methylphenyl) 2-nonoxyethyl phenyl phosphate
CID 69156969
2-phenoxyethyl phosphono tetradecyl phosphate
CID 174879807
octadecyl phenyl phosphono phosphate
CID 174802974
hexyl phenyl hydrogen phosphate
CID 66863526
2-dodecoxyethoxybenzene
CID 67831231
2-[2-[2-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxybenzene
CID 22762214
alumane;phenyl tetradecyl hydrogen phosphate
CID 173415537
tris(3-pentadecoxypropyl) phosphate
CID 126525532
di(tridecoxy)phosphorylbenzene
CID 87531060

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-ethoxyethoxy)ethoxy]ethyl nonyl phenoxy phosphate?
The IUPAC name of 2-[2-(2-ethoxyethoxy)ethoxy]ethyl nonyl phenoxy phosphate (CID 122613247) is 2-[2-(2-ethoxyethoxy)ethoxy]ethyl nonyl phenoxy phosphate.
What is the SMILES notation for 2-[2-(2-ethoxyethoxy)ethoxy]ethyl nonyl phenoxy phosphate?
The canonical SMILES for 2-[2-(2-ethoxyethoxy)ethoxy]ethyl nonyl phenoxy phosphate is CCCCCCCCCOP(=O)(OCCOCCOCCOCC)OOc1ccccc1.
What is the InChIKey of 2-[2-(2-ethoxyethoxy)ethoxy]ethyl nonyl phenoxy phosphate?
The InChIKey is GTBMPIYHWVJEBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H41O8P/c1-3-5-6-7-8-9-13-16-28-32(24,31-30-23-14-11-10-12-15-23)29-22-21-27-20-19-26-18-17-25-4-2/h10-12,14-15H,3-9,13,16-22H2,1-2H3.
What are the key properties of 2-[2-(2-ethoxyethoxy)ethoxy]ethyl nonyl phenoxy phosphate?
2-[2-(2-ethoxyethoxy)ethoxy]ethyl nonyl phenoxy phosphate has a molecular weight of 476.55 g/mol, XLogP of 5.96, 23 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-ethoxyethoxy)ethoxy]ethyl nonyl phenoxy phosphate is sourced from PubChem (CID 122613247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).