diethyl (2-methyl-1,3-dioxolan-4-yl)methyl phosphate

C9H19O6P — CID 11972014

IUPACdiethyl (2-methyl-1,3-dioxolan-4-yl)methyl phosphate
SMILESCCOP(=O)(OCC)OCC1COC(C)O1
InChIInChI=1S/C9H19O6P/c1-4-12-16(10,13-5-2)14-7-9-6-11-8(3)15-9/h8-9H,4-7H2,1-3H3
InChIKeyMYEIFXHRECDKPQ-UHFFFAOYSA-N
MW254.22 g/mol
LogP1.95
Rot. Bonds7

About diethyl (2-methyl-1,3-dioxolan-4-yl)methyl phosphate

diethyl (2-methyl-1,3-dioxolan-4-yl)methyl phosphate (PubChem CID 11972014) has the molecular formula C9H19O6P and a molecular weight of 254.22 g/mol. Its IUPAC name is diethyl (2-methyl-1,3-dioxolan-4-yl)methyl phosphate.

Molecular Properties

Compound Namediethyl (2-methyl-1,3-dioxolan-4-yl)methyl phosphate
PubChem CID11972014
Molecular FormulaC9H19O6P
Molecular Weight254.22 g/mol
Exact Mass254.09
IUPAC Namediethyl (2-methyl-1,3-dioxolan-4-yl)methyl phosphate
SMILESCCOP(=O)(OCC)OCC1COC(C)O1
InChIInChI=1S/C9H19O6P/c1-4-12-16(10,13-5-2)14-7-9-6-11-8(3)15-9/h8-9H,4-7H2,1-3H3
InChIKeyMYEIFXHRECDKPQ-UHFFFAOYSA-N
XLogP1.95
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.22
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

potassium hydroxy-[[(2S,4S)-2-methyl-1,3-dioxolan-4-yl]methoxy]-oxido-sulfanylidene-λ5-phosphane
CID 160640331
bis(2-methylhexyl) oxiran-2-ylmethyl phosphate
CID 71330005
(2S,4R)-2-methyl-4-propyl-1,3-dioxolane
CID 131847771
[(2R,4R)-2-methyl-1,3-dioxolan-4-yl]methanol
CID 12832915
2-[bis(oxiran-2-ylmethoxy)phosphorylmethoxymethyl]oxirane
CID 140732226
2-[[butyl(oxiran-2-ylmethoxy)phosphoryl]oxymethyl]oxirane
CID 21251791
oxiran-2-ylmethyl dihydrogen phosphate;2-propyloxirane
CID 118412815
hexadecakis(oxygen(2-));rhenium;thorium(4+);tetrakis(triethyl phosphate)
CID 139152951
triethyl phosphate;bis(trimethylsilane)
CID 175760856
sulfur trioxide;triethyl phosphate
CID 86745268
N-hydroxy-N-methyl-2-(2-methyl-1,3-dioxolan-4-yl)acetamide
CID 21306104
ethanol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 87071861

Frequently Asked Questions

What is the IUPAC name of diethyl (2-methyl-1,3-dioxolan-4-yl)methyl phosphate?
The IUPAC name of diethyl (2-methyl-1,3-dioxolan-4-yl)methyl phosphate (CID 11972014) is diethyl (2-methyl-1,3-dioxolan-4-yl)methyl phosphate.
What is the SMILES notation for diethyl (2-methyl-1,3-dioxolan-4-yl)methyl phosphate?
The canonical SMILES for diethyl (2-methyl-1,3-dioxolan-4-yl)methyl phosphate is CCOP(=O)(OCC)OCC1COC(C)O1.
What is the InChIKey of diethyl (2-methyl-1,3-dioxolan-4-yl)methyl phosphate?
The InChIKey is MYEIFXHRECDKPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19O6P/c1-4-12-16(10,13-5-2)14-7-9-6-11-8(3)15-9/h8-9H,4-7H2,1-3H3.
What are the key properties of diethyl (2-methyl-1,3-dioxolan-4-yl)methyl phosphate?
diethyl (2-methyl-1,3-dioxolan-4-yl)methyl phosphate has a molecular weight of 254.22 g/mol, XLogP of 1.95, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl (2-methyl-1,3-dioxolan-4-yl)methyl phosphate is sourced from PubChem (CID 11972014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).