2-[dodecyl(2-hydroxyethoxy)amino]oxyethanol;2-propylheptyl dihydrogen phosphate

C26H58NO8P — CID 174994813

IUPAC2-[dodecyl(2-hydroxyethoxy)amino]oxyethanol;2-propylheptyl dihydrogen phosphate
SMILESCCCCCC(CCC)COP(=O)(O)O.CCCCCCCCCCCCN(OCCO)OCCO
InChIInChI=1S/C16H35NO4.C10H23O4P/c1-2-3-4-5-6-7-8-9-10-11-12-17(20-15-13-18)21-16-14-19;1-3-5-6-8-10(7-4-2)9-14-15(11,12)13/h18-19H,2-16H2,1H3;10H,3-9H2,1-2H3,(H2,11,12,13)
InChIKeyXLHLHTZXHNZVSU-UHFFFAOYSA-N
MW543.72 g/mol
LogP6.15
Rot. Bonds26

About 2-[dodecyl(2-hydroxyethoxy)amino]oxyethanol;2-propylheptyl dihydrogen phosphate

2-[dodecyl(2-hydroxyethoxy)amino]oxyethanol;2-propylheptyl dihydrogen phosphate (PubChem CID 174994813) has the molecular formula C26H58NO8P and a molecular weight of 543.72 g/mol. Its IUPAC name is 2-[dodecyl(2-hydroxyethoxy)amino]oxyethanol;2-propylheptyl dihydrogen phosphate.

Molecular Properties

Compound Name2-[dodecyl(2-hydroxyethoxy)amino]oxyethanol;2-propylheptyl dihydrogen phosphate
PubChem CID174994813
Molecular FormulaC26H58NO8P
Molecular Weight543.72 g/mol
Exact Mass543.39
IUPAC Name2-[dodecyl(2-hydroxyethoxy)amino]oxyethanol;2-propylheptyl dihydrogen phosphate
SMILESCCCCCC(CCC)COP(=O)(O)O.CCCCCCCCCCCCN(OCCO)OCCO
InChIInChI=1S/C16H35NO4.C10H23O4P/c1-2-3-4-5-6-7-8-9-10-11-12-17(20-15-13-18)21-16-14-19;1-3-5-6-8-10(7-4-2)9-14-15(11,12)13/h18-19H,2-16H2,1H3;10H,3-9H2,1-2H3,(H2,11,12,13)
InChIKeyXLHLHTZXHNZVSU-UHFFFAOYSA-N
XLogP6.15
TPSA128.92 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds26
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.72
LogP ≤ 56.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[dodecyl(2-hydroxyethoxy)amino]oxyethanol;3-(2-ethylhexoxymethyl)heptane;phosphoric acid
CID 174996961
2-[2-hydroxyethoxy(nonadecyl)amino]oxyethanol
CID 87327457
2-ethylhexyl dihydrogen phosphate;2-[2-hydroxyethyl(octadecyl)amino]ethanol
CID 139033189
bis(2-decylpentadecyl) hydrogen phosphate
CID 57320275
2-(2-propylnonoxy)ethanol
CID 168837428
sodium;2-ethylhexyl dihydrogen phosphate;hydride
CID 173063880
2-[heptadecyl(2-hydroxyethoxy)amino]oxyethanol;octadecanoic acid
CID 174704040
2-[2-hydroxyethoxy(pentadecyl)amino]oxyethanol;octadecanoic acid
CID 90146048
CID 87184341
CID 87184341
CID 131883274
CID 131883274
bis(2-ethyloctyl) hydrogen phosphate
CID 15134822
2-[2-(2-hydroxyethoxy)ethoxy]ethanol;4-(2-propylheptoxymethyl)nonane
CID 175607007

Frequently Asked Questions

What is the IUPAC name of 2-[dodecyl(2-hydroxyethoxy)amino]oxyethanol;2-propylheptyl dihydrogen phosphate?
The IUPAC name of 2-[dodecyl(2-hydroxyethoxy)amino]oxyethanol;2-propylheptyl dihydrogen phosphate (CID 174994813) is 2-[dodecyl(2-hydroxyethoxy)amino]oxyethanol;2-propylheptyl dihydrogen phosphate.
What is the SMILES notation for 2-[dodecyl(2-hydroxyethoxy)amino]oxyethanol;2-propylheptyl dihydrogen phosphate?
The canonical SMILES for 2-[dodecyl(2-hydroxyethoxy)amino]oxyethanol;2-propylheptyl dihydrogen phosphate is CCCCCC(CCC)COP(=O)(O)O.CCCCCCCCCCCCN(OCCO)OCCO.
What is the InChIKey of 2-[dodecyl(2-hydroxyethoxy)amino]oxyethanol;2-propylheptyl dihydrogen phosphate?
The InChIKey is XLHLHTZXHNZVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35NO4.C10H23O4P/c1-2-3-4-5-6-7-8-9-10-11-12-17(20-15-13-18)21-16-14-19;1-3-5-6-8-10(7-4-2)9-14-15(11,12)13/h18-19H,2-16H2,1H3;10H,3-9H2,1-2H3,(H2,11,12,13).
What are the key properties of 2-[dodecyl(2-hydroxyethoxy)amino]oxyethanol;2-propylheptyl dihydrogen phosphate?
2-[dodecyl(2-hydroxyethoxy)amino]oxyethanol;2-propylheptyl dihydrogen phosphate has a molecular weight of 543.72 g/mol, XLogP of 6.15, 26 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[dodecyl(2-hydroxyethoxy)amino]oxyethanol;2-propylheptyl dihydrogen phosphate is sourced from PubChem (CID 174994813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).