ethoxyethane;hexadecyl dihydrogen phosphate

C20H45O5P — CID 87093984

IUPACethoxyethane;hexadecyl dihydrogen phosphate
SMILESCCCCCCCCCCCCCCCCOP(=O)(O)O.CCOCC
InChIInChI=1S/C16H35O4P.C4H10O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-21(17,18)19;1-3-5-4-2/h2-16H2,1H3,(H2,17,18,19);3-4H2,1-2H3
InChIKeyZOPBJENFKRQEFK-UHFFFAOYSA-N
MW396.55 g/mol
LogP6.62
Rot. Bonds18

About ethoxyethane;hexadecyl dihydrogen phosphate

ethoxyethane;hexadecyl dihydrogen phosphate (PubChem CID 87093984) has the molecular formula C20H45O5P and a molecular weight of 396.55 g/mol. Its IUPAC name is ethoxyethane;hexadecyl dihydrogen phosphate.

Molecular Properties

Compound Nameethoxyethane;hexadecyl dihydrogen phosphate
PubChem CID87093984
Molecular FormulaC20H45O5P
Molecular Weight396.55 g/mol
Exact Mass396.30
IUPAC Nameethoxyethane;hexadecyl dihydrogen phosphate
SMILESCCCCCCCCCCCCCCCCOP(=O)(O)O.CCOCC
InChIInChI=1S/C16H35O4P.C4H10O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-21(17,18)19;1-3-5-4-2/h2-16H2,1H3,(H2,17,18,19);3-4H2,1-2H3
InChIKeyZOPBJENFKRQEFK-UHFFFAOYSA-N
XLogP6.62
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.55
LogP ≤ 56.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

octatriacontyl dihydrogen phosphate
CID 140979287
heptyl dihydrogen phosphate;octyl dihydrogen phosphate
CID 160757103
pentatriacontyl dihydrogen phosphate
CID 164897229
hexadecyl dihydrogen phosphate;tetradecyl dihydrogen phosphate
CID 159430233
iron;octadecyl dihydrogen phosphate
CID 175059517
hexyl dihydrogen phosphate;neodymium
CID 174801976
dodecyl dihydrogen phosphate;indigane
CID 173026750
azane;octadecyl dihydrogen phosphate
CID 87905459
CID 170842594
CID 170842594
CID 170843971
CID 170843971
alumane;tridecyl dihydrogen phosphate
CID 173322009
ethanol;hexadecyl dihydrogen phosphate
CID 174523308

Frequently Asked Questions

What is the IUPAC name of ethoxyethane;hexadecyl dihydrogen phosphate?
The IUPAC name of ethoxyethane;hexadecyl dihydrogen phosphate (CID 87093984) is ethoxyethane;hexadecyl dihydrogen phosphate.
What is the SMILES notation for ethoxyethane;hexadecyl dihydrogen phosphate?
The canonical SMILES for ethoxyethane;hexadecyl dihydrogen phosphate is CCCCCCCCCCCCCCCCOP(=O)(O)O.CCOCC.
What is the InChIKey of ethoxyethane;hexadecyl dihydrogen phosphate?
The InChIKey is ZOPBJENFKRQEFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35O4P.C4H10O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-21(17,18)19;1-3-5-4-2/h2-16H2,1H3,(H2,17,18,19);3-4H2,1-2H3.
What are the key properties of ethoxyethane;hexadecyl dihydrogen phosphate?
ethoxyethane;hexadecyl dihydrogen phosphate has a molecular weight of 396.55 g/mol, XLogP of 6.62, 18 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxyethane;hexadecyl dihydrogen phosphate is sourced from PubChem (CID 87093984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).