2-(2-ethoxyethoxy)ethyl (2-nonylnaphthalen-1-yl)oxy hydrogen phosphate

C25H39O7P — CID 172781696

IUPAC2-(2-ethoxyethoxy)ethyl (2-nonylnaphthalen-1-yl)oxy hydrogen phosphate
SMILESCCCCCCCCCc1ccc2ccccc2c1OOP(=O)(O)OCCOCCOCC
InChIInChI=1S/C25H39O7P/c1-3-5-6-7-8-9-10-14-23-17-16-22-13-11-12-15-24(22)25(23)31-32-33(26,27)30-21-20-29-19-18-28-4-2/h11-13,15-17H,3-10,14,18-21H2,1-2H3,(H,26,27)
InChIKeyOIQPKLGDJNHIBA-UHFFFAOYSA-N
MW482.55 g/mol
LogP6.61
Rot. Bonds19

About 2-(2-ethoxyethoxy)ethyl (2-nonylnaphthalen-1-yl)oxy hydrogen phosphate

2-(2-ethoxyethoxy)ethyl (2-nonylnaphthalen-1-yl)oxy hydrogen phosphate (PubChem CID 172781696) has the molecular formula C25H39O7P and a molecular weight of 482.55 g/mol. Its IUPAC name is 2-(2-ethoxyethoxy)ethyl (2-nonylnaphthalen-1-yl)oxy hydrogen phosphate.

Molecular Properties

Compound Name2-(2-ethoxyethoxy)ethyl (2-nonylnaphthalen-1-yl)oxy hydrogen phosphate
PubChem CID172781696
Molecular FormulaC25H39O7P
Molecular Weight482.55 g/mol
Exact Mass482.24
IUPAC Name2-(2-ethoxyethoxy)ethyl (2-nonylnaphthalen-1-yl)oxy hydrogen phosphate
SMILESCCCCCCCCCc1ccc2ccccc2c1OOP(=O)(O)OCCOCCOCC
InChIInChI=1S/C25H39O7P/c1-3-5-6-7-8-9-10-14-23-17-16-22-13-11-12-15-24(22)25(23)31-32-33(26,27)30-21-20-29-19-18-28-4-2/h11-13,15-17H,3-10,14,18-21H2,1-2H3,(H,26,27)
InChIKeyOIQPKLGDJNHIBA-UHFFFAOYSA-N
XLogP6.61
TPSA83.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds19
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.55
LogP ≤ 56.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

tris(2-octadecylnaphthalen-1-yl) phosphate
CID 139785035
2-[2-(2-ethoxyethoxy)ethoxy]ethyl naphthalen-1-yloxy pentadecyl phosphate
CID 122611702
2-(2-naphthalen-1-yloxyethoxy)ethyl octadecyl hydrogen phosphate
CID 122612460
2-[2-[2-(2-naphthalen-1-yloxyethoxy)ethoxy]ethoxy]ethyl pentyl hydrogen phosphate
CID 122610959
(2-octylnaphthalen-1-yl) hydrogen sulfite
CID 155147504
butoxy 2-(2-ethoxyethoxy)ethyl hydrogen phosphate
CID 122611661
2-undecylnaphthalen-1-ol
CID 139729579
2-[2-(2-ethoxyethoxy)ethoxy]ethyl nonyl phenoxy phosphate
CID 122613247
2-hexadecylnaphthalen-1-amine
CID 57354886
1-tetradecylnaphthalene
CID 14402128
1-heptyl-4-[3-(4-heptylnaphthalen-1-yl)propyl]naphthalene
CID 157140020
heptane;phenanthrene
CID 157482146

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethoxy)ethyl (2-nonylnaphthalen-1-yl)oxy hydrogen phosphate?
The IUPAC name of 2-(2-ethoxyethoxy)ethyl (2-nonylnaphthalen-1-yl)oxy hydrogen phosphate (CID 172781696) is 2-(2-ethoxyethoxy)ethyl (2-nonylnaphthalen-1-yl)oxy hydrogen phosphate.
What is the SMILES notation for 2-(2-ethoxyethoxy)ethyl (2-nonylnaphthalen-1-yl)oxy hydrogen phosphate?
The canonical SMILES for 2-(2-ethoxyethoxy)ethyl (2-nonylnaphthalen-1-yl)oxy hydrogen phosphate is CCCCCCCCCc1ccc2ccccc2c1OOP(=O)(O)OCCOCCOCC.
What is the InChIKey of 2-(2-ethoxyethoxy)ethyl (2-nonylnaphthalen-1-yl)oxy hydrogen phosphate?
The InChIKey is OIQPKLGDJNHIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H39O7P/c1-3-5-6-7-8-9-10-14-23-17-16-22-13-11-12-15-24(22)25(23)31-32-33(26,27)30-21-20-29-19-18-28-4-2/h11-13,15-17H,3-10,14,18-21H2,1-2H3,(H,26,27).
What are the key properties of 2-(2-ethoxyethoxy)ethyl (2-nonylnaphthalen-1-yl)oxy hydrogen phosphate?
2-(2-ethoxyethoxy)ethyl (2-nonylnaphthalen-1-yl)oxy hydrogen phosphate has a molecular weight of 482.55 g/mol, XLogP of 6.61, 19 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethoxy)ethyl (2-nonylnaphthalen-1-yl)oxy hydrogen phosphate is sourced from PubChem (CID 172781696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).