triethyl phosphate

C6H15O4P — CID 6535

IUPACtriethyl phosphate
SMILESCCOP(=O)(OCC)OCC
InChIInChI=1S/C6H15O4P/c1-4-8-11(7,9-5-2)10-6-3/h4-6H2,1-3H3
InChIKeyDQWPFSLDHJDLRL-UHFFFAOYSA-N
MW182.16 g/mol
LogP2.20
Rot. Bonds6

About triethyl phosphate

triethyl phosphate (PubChem CID 6535) has the molecular formula C6H15O4P and a molecular weight of 182.16 g/mol. Its IUPAC name is triethyl phosphate.

Molecular Properties

Compound Nametriethyl phosphate
PubChem CID6535
Molecular FormulaC6H15O4P
Molecular Weight182.16 g/mol
Exact Mass182.07
IUPAC Nametriethyl phosphate
SMILESCCOP(=O)(OCC)OCC
InChIInChI=1S/C6H15O4P/c1-4-8-11(7,9-5-2)10-6-3/h4-6H2,1-3H3
InChIKeyDQWPFSLDHJDLRL-UHFFFAOYSA-N
XLogP2.20
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.16
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Tetraethyl Pyrophosphate
CID 7873
Diethyl phosphate
CID 654
Diethyl hydrogen phosphite
CID 6327654
Diethyl chlorophosphate
CID 13139
Triethyl phosphite
CID 31215
Phosphoric acid, monopropyl ester
CID 74188
Monoethyl phosphate
CID 74190
Diethyl ethylphosphonate
CID 6534
Fosetyl-al
CID 6328269
Monobutyl phosphate
CID 15389
Diethyl methylphosphonate
CID 12685
Ethyl phosphate(2-)
CID 12691392

Frequently Asked Questions

What is the IUPAC name of triethyl phosphate?
The IUPAC name of triethyl phosphate (CID 6535) is triethyl phosphate.
What is the SMILES notation for triethyl phosphate?
The canonical SMILES for triethyl phosphate is CCOP(=O)(OCC)OCC.
What is the InChIKey of triethyl phosphate?
The InChIKey is DQWPFSLDHJDLRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15O4P/c1-4-8-11(7,9-5-2)10-6-3/h4-6H2,1-3H3.
What are the key properties of triethyl phosphate?
triethyl phosphate has a molecular weight of 182.16 g/mol, XLogP of 2.20, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl phosphate is sourced from PubChem (CID 6535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).