tris(2-methoxyethyl) phosphate

C9H21O7P — CID 22542

IUPACtris(2-methoxyethyl) phosphate
SMILESCOCCOP(=O)(OCCOC)OCCOC
InChIInChI=1S/C9H21O7P/c1-11-4-7-14-17(10,15-8-5-12-2)16-9-6-13-3/h4-9H2,1-3H3
InChIKeyQLNUSZCPEUTHBS-UHFFFAOYSA-N
MW272.23 g/mol
LogP1.08
Rot. Bonds12

About tris(2-methoxyethyl) phosphate

tris(2-methoxyethyl) phosphate (PubChem CID 22542) has the molecular formula C9H21O7P and a molecular weight of 272.23 g/mol. Its IUPAC name is tris(2-methoxyethyl) phosphate.

Molecular Properties

Compound Nametris(2-methoxyethyl) phosphate
PubChem CID22542
Molecular FormulaC9H21O7P
Molecular Weight272.23 g/mol
Exact Mass272.10
IUPAC Nametris(2-methoxyethyl) phosphate
SMILESCOCCOP(=O)(OCCOC)OCCOC
InChIInChI=1S/C9H21O7P/c1-11-4-7-14-17(10,15-8-5-12-2)16-9-6-13-3/h4-9H2,1-3H3
InChIKeyQLNUSZCPEUTHBS-UHFFFAOYSA-N
XLogP1.08
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.23
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

Tetraethyl Pyrophosphate
CID 7873
Ethanol, 2-butoxy-, 1,1'-(hydrogen phosphate)
CID 84299
Tripropyl phosphate
CID 10546
Ethanol, 2-(2-butoxyethoxy)-, phosphate
CID 173028
Diphosphoric(III,V) acid, tetraethyl ester
CID 12684
Ethanol, 2-propoxy-, phosphate (3:1)
CID 45451
Diethyl (Ethoxymethyl)phosphonate
CID 13128691
PEG2-bis(phosphonic acid diethyl ester)
CID 239285
2-Methoxyethyl dihydrogen phosphate
CID 5153072
Bis(2-methoxyethyl) methylphosphonate
CID 547065
Ethyl 2-methoxyethyl methylphosphonate
CID 547072
Phosphoric acid, diethyl 2-(ethoxy)ethyl ester
CID 3052884

Frequently Asked Questions

What is the IUPAC name of tris(2-methoxyethyl) phosphate?
The IUPAC name of tris(2-methoxyethyl) phosphate (CID 22542) is tris(2-methoxyethyl) phosphate.
What is the SMILES notation for tris(2-methoxyethyl) phosphate?
The canonical SMILES for tris(2-methoxyethyl) phosphate is COCCOP(=O)(OCCOC)OCCOC.
What is the InChIKey of tris(2-methoxyethyl) phosphate?
The InChIKey is QLNUSZCPEUTHBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21O7P/c1-11-4-7-14-17(10,15-8-5-12-2)16-9-6-13-3/h4-9H2,1-3H3.
What are the key properties of tris(2-methoxyethyl) phosphate?
tris(2-methoxyethyl) phosphate has a molecular weight of 272.23 g/mol, XLogP of 1.08, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-methoxyethyl) phosphate is sourced from PubChem (CID 22542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).