diethyl (3-hydroxy-2,2-dimethylpropyl) phosphate

C9H21O5P — CID 71388723

IUPACdiethyl (3-hydroxy-2,2-dimethylpropyl) phosphate
SMILESCCOP(=O)(OCC)OCC(C)(C)CO
InChIInChI=1S/C9H21O5P/c1-5-12-15(11,13-6-2)14-8-9(3,4)7-10/h10H,5-8H2,1-4H3
InChIKeyJMOPKMDKUKBLPB-UHFFFAOYSA-N
MW240.24 g/mol
LogP2.20
Rot. Bonds8

About diethyl (3-hydroxy-2,2-dimethylpropyl) phosphate

diethyl (3-hydroxy-2,2-dimethylpropyl) phosphate (PubChem CID 71388723) has the molecular formula C9H21O5P and a molecular weight of 240.24 g/mol. Its IUPAC name is diethyl (3-hydroxy-2,2-dimethylpropyl) phosphate.

Molecular Properties

Compound Namediethyl (3-hydroxy-2,2-dimethylpropyl) phosphate
PubChem CID71388723
Molecular FormulaC9H21O5P
Molecular Weight240.24 g/mol
Exact Mass240.11
IUPAC Namediethyl (3-hydroxy-2,2-dimethylpropyl) phosphate
SMILESCCOP(=O)(OCC)OCC(C)(C)CO
InChIInChI=1S/C9H21O5P/c1-5-12-15(11,13-6-2)14-8-9(3,4)7-10/h10H,5-8H2,1-4H3
InChIKeyJMOPKMDKUKBLPB-UHFFFAOYSA-N
XLogP2.20
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.24
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 (3-hydroxy-2,2-dimethylpropyl) phosphate?
The IUPAC name of diethyl (3-hydroxy-2,2-dimethylpropyl) phosphate (CID 71388723) is diethyl (3-hydroxy-2,2-dimethylpropyl) phosphate.
What is the SMILES notation for diethyl (3-hydroxy-2,2-dimethylpropyl) phosphate?
The canonical SMILES for diethyl (3-hydroxy-2,2-dimethylpropyl) phosphate is CCOP(=O)(OCC)OCC(C)(C)CO.
What is the InChIKey of diethyl (3-hydroxy-2,2-dimethylpropyl) phosphate?
The InChIKey is JMOPKMDKUKBLPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21O5P/c1-5-12-15(11,13-6-2)14-8-9(3,4)7-10/h10H,5-8H2,1-4H3.
What are the key properties of diethyl (3-hydroxy-2,2-dimethylpropyl) phosphate?
diethyl (3-hydroxy-2,2-dimethylpropyl) phosphate has a molecular weight of 240.24 g/mol, XLogP of 2.20, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl (3-hydroxy-2,2-dimethylpropyl) phosphate is sourced from PubChem (CID 71388723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).