2-[2-(2-ethoxyethoxy)ethoxy]ethyl naphthalen-1-yloxy pentadecyl phosphate

C33H55O8P — CID 122611702

IUPAC2-[2-(2-ethoxyethoxy)ethoxy]ethyl naphthalen-1-yloxy pentadecyl phosphate
SMILESCCCCCCCCCCCCCCCOP(=O)(OCCOCCOCCOCC)OOc1cccc2ccccc12
InChIInChI=1S/C33H55O8P/c1-3-5-6-7-8-9-10-11-12-13-14-15-18-24-38-42(34,39-30-29-37-28-27-36-26-25-35-4-2)41-40-33-23-19-21-31-20-16-17-22-32(31)33/h16-17,19-23H,3-15,18,24-30H2,1-2H3
InChIKeyDWTDQHGFFVWVCX-UHFFFAOYSA-N
MW610.77 g/mol
LogP9.45
Rot. Bonds29

About 2-[2-(2-ethoxyethoxy)ethoxy]ethyl naphthalen-1-yloxy pentadecyl phosphate

2-[2-(2-ethoxyethoxy)ethoxy]ethyl naphthalen-1-yloxy pentadecyl phosphate (PubChem CID 122611702) has the molecular formula C33H55O8P and a molecular weight of 610.77 g/mol. Its IUPAC name is 2-[2-(2-ethoxyethoxy)ethoxy]ethyl naphthalen-1-yloxy pentadecyl phosphate.

Molecular Properties

Compound Name2-[2-(2-ethoxyethoxy)ethoxy]ethyl naphthalen-1-yloxy pentadecyl phosphate
PubChem CID122611702
Molecular FormulaC33H55O8P
Molecular Weight610.77 g/mol
Exact Mass610.36
IUPAC Name2-[2-(2-ethoxyethoxy)ethoxy]ethyl naphthalen-1-yloxy pentadecyl phosphate
SMILESCCCCCCCCCCCCCCCOP(=O)(OCCOCCOCCOCC)OOc1cccc2ccccc12
InChIInChI=1S/C33H55O8P/c1-3-5-6-7-8-9-10-11-12-13-14-15-18-24-38-42(34,39-30-29-37-28-27-36-26-25-35-4-2)41-40-33-23-19-21-31-20-16-17-22-32(31)33/h16-17,19-23H,3-15,18,24-30H2,1-2H3
InChIKeyDWTDQHGFFVWVCX-UHFFFAOYSA-N
XLogP9.45
TPSA81.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds29
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.77
LogP ≤ 59.45
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 nonyl phenoxy phosphate
CID 122613247
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-(2-naphthalen-1-ylperoxytridecoxy)ethyl dihydrogen phosphate
CID 172825589
2-(2-ethoxyethoxy)ethyl (2-nonylnaphthalen-1-yl)oxy hydrogen phosphate
CID 172781696
2-[2-(2-naphthalen-1-yloxyheptadecoxy)ethoxy]ethyl dihydrogen phosphate
CID 151025553
2-(2-ethoxyethoxy)ethyl-naphthalen-1-yloxyphosphinic acid
CID 174803088
1-[ethoxy(octadecyl)phosphoryl]oxynaphthalene
CID 174802997
1-[chloro(naphthalen-1-ylperoxy)phosphoryl]peroxynaphthalene
CID 87221296
2-[2-(2-naphthalen-1-yloxyheptoxy)ethoxy]ethyl dihydrogen phosphate
CID 152717239
1-decoxyphenanthrene
CID 140993229
4-hexoxy-N'-(2-naphthalen-1-yloxyacetyl)benzohydrazide
CID 4933802

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-ethoxyethoxy)ethoxy]ethyl naphthalen-1-yloxy pentadecyl phosphate?
The IUPAC name of 2-[2-(2-ethoxyethoxy)ethoxy]ethyl naphthalen-1-yloxy pentadecyl phosphate (CID 122611702) is 2-[2-(2-ethoxyethoxy)ethoxy]ethyl naphthalen-1-yloxy pentadecyl phosphate.
What is the SMILES notation for 2-[2-(2-ethoxyethoxy)ethoxy]ethyl naphthalen-1-yloxy pentadecyl phosphate?
The canonical SMILES for 2-[2-(2-ethoxyethoxy)ethoxy]ethyl naphthalen-1-yloxy pentadecyl phosphate is CCCCCCCCCCCCCCCOP(=O)(OCCOCCOCCOCC)OOc1cccc2ccccc12.
What is the InChIKey of 2-[2-(2-ethoxyethoxy)ethoxy]ethyl naphthalen-1-yloxy pentadecyl phosphate?
The InChIKey is DWTDQHGFFVWVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H55O8P/c1-3-5-6-7-8-9-10-11-12-13-14-15-18-24-38-42(34,39-30-29-37-28-27-36-26-25-35-4-2)41-40-33-23-19-21-31-20-16-17-22-32(31)33/h16-17,19-23H,3-15,18,24-30H2,1-2H3.
What are the key properties of 2-[2-(2-ethoxyethoxy)ethoxy]ethyl naphthalen-1-yloxy pentadecyl phosphate?
2-[2-(2-ethoxyethoxy)ethoxy]ethyl naphthalen-1-yloxy pentadecyl phosphate has a molecular weight of 610.77 g/mol, XLogP of 9.45, 29 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 naphthalen-1-yloxy pentadecyl phosphate is sourced from PubChem (CID 122611702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).