diethyl 2-methylpropyl phosphate

C8H19O4P — CID 23424240

IUPACdiethyl 2-methylpropyl phosphate
SMILESCCOP(=O)(OCC)OCC(C)C
InChIInChI=1S/C8H19O4P/c1-5-10-13(9,11-6-2)12-7-8(3)4/h8H,5-7H2,1-4H3
InChIKeyVAUVEZMZAPNZOT-UHFFFAOYSA-N
MW210.21 g/mol
LogP2.84
Rot. Bonds7

About diethyl 2-methylpropyl phosphate

diethyl 2-methylpropyl phosphate (PubChem CID 23424240) has the molecular formula C8H19O4P and a molecular weight of 210.21 g/mol. Its IUPAC name is diethyl 2-methylpropyl phosphate.

Molecular Properties

Compound Namediethyl 2-methylpropyl phosphate
PubChem CID23424240
Molecular FormulaC8H19O4P
Molecular Weight210.21 g/mol
Exact Mass210.10
IUPAC Namediethyl 2-methylpropyl phosphate
SMILESCCOP(=O)(OCC)OCC(C)C
InChIInChI=1S/C8H19O4P/c1-5-10-13(9,11-6-2)12-7-8(3)4/h8H,5-7H2,1-4H3
InChIKeyVAUVEZMZAPNZOT-UHFFFAOYSA-N
XLogP2.84
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.21
LogP ≤ 52.84
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 diethyl 2-methylpropyl phosphate?
The IUPAC name of diethyl 2-methylpropyl phosphate (CID 23424240) is diethyl 2-methylpropyl phosphate.
What is the SMILES notation for diethyl 2-methylpropyl phosphate?
The canonical SMILES for diethyl 2-methylpropyl phosphate is CCOP(=O)(OCC)OCC(C)C.
What is the InChIKey of diethyl 2-methylpropyl phosphate?
The InChIKey is VAUVEZMZAPNZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19O4P/c1-5-10-13(9,11-6-2)12-7-8(3)4/h8H,5-7H2,1-4H3.
What are the key properties of diethyl 2-methylpropyl phosphate?
diethyl 2-methylpropyl phosphate has a molecular weight of 210.21 g/mol, XLogP of 2.84, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-methylpropyl phosphate is sourced from PubChem (CID 23424240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).