1,2-bis[[methoxy(methyl)phosphoryl]oxy]ethane

C6H16O6P2 — CID 18714474

IUPAC1,2-bis[[methoxy(methyl)phosphoryl]oxy]ethane
SMILESCOP(C)(=O)OCCOP(C)(=O)OC
InChIInChI=1S/C6H16O6P2/c1-9-13(3,7)11-5-6-12-14(4,8)10-2/h5-6H2,1-4H3
InChIKeyWFRIJSMXMKAAIU-UHFFFAOYSA-N
MW246.14 g/mol
LogP1.96
Rot. Bonds7

About 1,2-bis[[methoxy(methyl)phosphoryl]oxy]ethane

1,2-bis[[methoxy(methyl)phosphoryl]oxy]ethane (PubChem CID 18714474) has the molecular formula C6H16O6P2 and a molecular weight of 246.14 g/mol. Its IUPAC name is 1,2-bis[[methoxy(methyl)phosphoryl]oxy]ethane.

Molecular Properties

Compound Name1,2-bis[[methoxy(methyl)phosphoryl]oxy]ethane
PubChem CID18714474
Molecular FormulaC6H16O6P2
Molecular Weight246.14 g/mol
Exact Mass246.04
IUPAC Name1,2-bis[[methoxy(methyl)phosphoryl]oxy]ethane
SMILESCOP(C)(=O)OCCOP(C)(=O)OC
InChIInChI=1S/C6H16O6P2/c1-9-13(3,7)11-5-6-12-14(4,8)10-2/h5-6H2,1-4H3
InChIKeyWFRIJSMXMKAAIU-UHFFFAOYSA-N
XLogP1.96
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.14
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[methoxy(methyl)phosphoryl]oxy-2,2-dimethylpropane
CID 91752261
methane;[methoxy(methyl)phosphoryl]oxymethane
CID 161343110
CID 57459832
CID 57459832
1-[methyl(propoxy)phosphoryl]oxypropane
CID 566276
3-[methoxy(methyl)phosphoryl]oxypropyl prop-2-enoate
CID 118588496
ethoxy-[3-[methoxy(methyl)phosphoryl]oxypropyl]-dimethylsilane
CID 57271043
3-ethyl-3-[[methoxy(methyl)phosphoryl]oxymethyl]pentane
CID 126496979
1-[methoxy(methyl)phosphoryl]oxypropan-2-ol
CID 14451329
1-[2-methoxyethoxy(methyl)phosphoryl]oxy-2-methylpropane
CID 170850888
methane;methoxymethyl-[[methoxy(methyl)phosphoryl]oxymethyl]-dimethylazanium
CID 158769019
diethyl [methoxy(methyl)phosphoryl] phosphate
CID 162624062
1-[methoxy(methyl)phosphoryl]oxypentan-2-one
CID 88842238

Frequently Asked Questions

What is the IUPAC name of 1,2-bis[[methoxy(methyl)phosphoryl]oxy]ethane?
The IUPAC name of 1,2-bis[[methoxy(methyl)phosphoryl]oxy]ethane (CID 18714474) is 1,2-bis[[methoxy(methyl)phosphoryl]oxy]ethane.
What is the SMILES notation for 1,2-bis[[methoxy(methyl)phosphoryl]oxy]ethane?
The canonical SMILES for 1,2-bis[[methoxy(methyl)phosphoryl]oxy]ethane is COP(C)(=O)OCCOP(C)(=O)OC.
What is the InChIKey of 1,2-bis[[methoxy(methyl)phosphoryl]oxy]ethane?
The InChIKey is WFRIJSMXMKAAIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16O6P2/c1-9-13(3,7)11-5-6-12-14(4,8)10-2/h5-6H2,1-4H3.
What are the key properties of 1,2-bis[[methoxy(methyl)phosphoryl]oxy]ethane?
1,2-bis[[methoxy(methyl)phosphoryl]oxy]ethane has a molecular weight of 246.14 g/mol, XLogP of 1.96, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis[[methoxy(methyl)phosphoryl]oxy]ethane is sourced from PubChem (CID 18714474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).