acetic acid;triethyl phosphate

C8H19O6P — CID 161446956

IUPACacetic acid;triethyl phosphate
SMILESCC(=O)O.CCOP(=O)(OCC)OCC
InChIInChI=1S/C6H15O4P.C2H4O2/c1-4-8-11(7,9-5-2)10-6-3;1-2(3)4/h4-6H2,1-3H3;1H3,(H,3,4)
InChIKeyWAAGTAVLNSWINH-UHFFFAOYSA-N
MW242.21 g/mol
LogP2.29
Rot. Bonds6

About acetic acid;triethyl phosphate

acetic acid;triethyl phosphate (PubChem CID 161446956) has the molecular formula C8H19O6P and a molecular weight of 242.21 g/mol. Its IUPAC name is acetic acid;triethyl phosphate.

Molecular Properties

Compound Nameacetic acid;triethyl phosphate
PubChem CID161446956
Molecular FormulaC8H19O6P
Molecular Weight242.21 g/mol
Exact Mass242.09
IUPAC Nameacetic acid;triethyl phosphate
SMILESCC(=O)O.CCOP(=O)(OCC)OCC
InChIInChI=1S/C6H15O4P.C2H4O2/c1-4-8-11(7,9-5-2)10-6-3;1-2(3)4/h4-6H2,1-3H3;1H3,(H,3,4)
InChIKeyWAAGTAVLNSWINH-UHFFFAOYSA-N
XLogP2.29
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.21
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

carbonic acid;prop-1-ene;triethyl phosphate
CID 174925075
sodium;acetic acid;diethyl hydrogen phosphate;hydride
CID 175141912
hexadecakis(oxygen(2-));rhenium;thorium(4+);tetrakis(triethyl phosphate)
CID 139152951
triethyl phosphate;bis(trimethylsilane)
CID 175760856
sulfur trioxide;triethyl phosphate
CID 86745268
diethyl 2-methoxyethyl phosphate
CID 547489
2-methylpropanamide;triethyl phosphate
CID 155316510
aluminum;triethyl phosphate;phosphate
CID 174993171
[2-(dimethylamino)-2-oxoethyl] diethyl phosphate
CID 141322908
bis(prop-2-enyl) carbonate;triethyl phosphate
CID 174813432
5-diethoxyphosphoryloxypentyl diethyl phosphate
CID 23412798
diethoxyphosphoryl 2,2-dimethylpropanoate
CID 131858368

Frequently Asked Questions

What is the IUPAC name of acetic acid;triethyl phosphate?
The IUPAC name of acetic acid;triethyl phosphate (CID 161446956) is acetic acid;triethyl phosphate.
What is the SMILES notation for acetic acid;triethyl phosphate?
The canonical SMILES for acetic acid;triethyl phosphate is CC(=O)O.CCOP(=O)(OCC)OCC.
What is the InChIKey of acetic acid;triethyl phosphate?
The InChIKey is WAAGTAVLNSWINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15O4P.C2H4O2/c1-4-8-11(7,9-5-2)10-6-3;1-2(3)4/h4-6H2,1-3H3;1H3,(H,3,4).
What are the key properties of acetic acid;triethyl phosphate?
acetic acid;triethyl phosphate has a molecular weight of 242.21 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;triethyl phosphate is sourced from PubChem (CID 161446956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).