tert-butyl diethyl phosphate

C8H19O4P — CID 567117

IUPACtert-butyl diethyl phosphate
SMILESCCOP(=O)(OCC)OC(C)(C)C
InChIInChI=1S/C8H19O4P/c1-6-10-13(9,11-7-2)12-8(3,4)5/h6-7H2,1-5H3
InChIKeyBRBOWTGZURVLEQ-UHFFFAOYSA-N
MW210.21 g/mol
LogP2.98
Rot. Bonds5

About tert-butyl diethyl phosphate

tert-butyl diethyl phosphate (PubChem CID 567117) has the molecular formula C8H19O4P and a molecular weight of 210.21 g/mol. Its IUPAC name is tert-butyl diethyl phosphate.

Molecular Properties

Compound Nametert-butyl diethyl phosphate
PubChem CID567117
Molecular FormulaC8H19O4P
Molecular Weight210.21 g/mol
Exact Mass210.10
IUPAC Nametert-butyl diethyl phosphate
SMILESCCOP(=O)(OCC)OC(C)(C)C
InChIInChI=1S/C8H19O4P/c1-6-10-13(9,11-7-2)12-8(3,4)5/h6-7H2,1-5H3
InChIKeyBRBOWTGZURVLEQ-UHFFFAOYSA-N
XLogP2.98
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.21
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl diethyl phosphate?
The IUPAC name of tert-butyl diethyl phosphate (CID 567117) is tert-butyl diethyl phosphate.
What is the SMILES notation for tert-butyl diethyl phosphate?
The canonical SMILES for tert-butyl diethyl phosphate is CCOP(=O)(OCC)OC(C)(C)C.
What is the InChIKey of tert-butyl diethyl phosphate?
The InChIKey is BRBOWTGZURVLEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19O4P/c1-6-10-13(9,11-7-2)12-8(3,4)5/h6-7H2,1-5H3.
What are the key properties of tert-butyl diethyl phosphate?
tert-butyl diethyl phosphate has a molecular weight of 210.21 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl diethyl phosphate is sourced from PubChem (CID 567117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).