2-(dimethylamino)ethyl 2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl methyl phosphate

C16H36NO9P — CID 121405453

IUPAC2-(dimethylamino)ethyl 2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl methyl phosphate
SMILESCOCCOCCOCCOCCOCCOP(=O)(OC)OCCN(C)C
InChIInChI=1S/C16H36NO9P/c1-17(2)5-6-25-27(18,20-4)26-16-15-24-14-13-23-12-11-22-10-9-21-8-7-19-3/h5-16H2,1-4H3
InChIKeyRRELJPPICCKSDV-UHFFFAOYSA-N
MW417.44 g/mol
LogP1.05
Rot. Bonds21

About 2-(dimethylamino)ethyl 2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl methyl phosphate

2-(dimethylamino)ethyl 2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl methyl phosphate (PubChem CID 121405453) has the molecular formula C16H36NO9P and a molecular weight of 417.44 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl 2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl methyl phosphate.

Molecular Properties

Compound Name2-(dimethylamino)ethyl 2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl methyl phosphate
PubChem CID121405453
Molecular FormulaC16H36NO9P
Molecular Weight417.44 g/mol
Exact Mass417.21
IUPAC Name2-(dimethylamino)ethyl 2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl methyl phosphate
SMILESCOCCOCCOCCOCCOCCOP(=O)(OC)OCCN(C)C
InChIInChI=1S/C16H36NO9P/c1-17(2)5-6-25-27(18,20-4)26-16-15-24-14-13-23-12-11-22-10-9-21-8-7-19-3/h5-16H2,1-4H3
InChIKeyRRELJPPICCKSDV-UHFFFAOYSA-N
XLogP1.05
TPSA94.15 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds21
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.44
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl 2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl methyl phosphate?
The IUPAC name of 2-(dimethylamino)ethyl 2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl methyl phosphate (CID 121405453) is 2-(dimethylamino)ethyl 2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl methyl phosphate.
What is the SMILES notation for 2-(dimethylamino)ethyl 2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl methyl phosphate?
The canonical SMILES for 2-(dimethylamino)ethyl 2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl methyl phosphate is COCCOCCOCCOCCOCCOP(=O)(OC)OCCN(C)C.
What is the InChIKey of 2-(dimethylamino)ethyl 2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl methyl phosphate?
The InChIKey is RRELJPPICCKSDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36NO9P/c1-17(2)5-6-25-27(18,20-4)26-16-15-24-14-13-23-12-11-22-10-9-21-8-7-19-3/h5-16H2,1-4H3.
What are the key properties of 2-(dimethylamino)ethyl 2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl methyl phosphate?
2-(dimethylamino)ethyl 2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl methyl phosphate has a molecular weight of 417.44 g/mol, XLogP of 1.05, 21 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl 2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl methyl phosphate is sourced from PubChem (CID 121405453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).