2-dimethoxyphosphoryloxane

C7H15O4P — CID 12592196

IUPAC2-dimethoxyphosphoryloxane
SMILESCOP(=O)(OC)C1CCCCO1
InChIInChI=1S/C7H15O4P/c1-9-12(8,10-2)7-5-3-4-6-11-7/h7H,3-6H2,1-2H3
InChIKeyYDMLOSOESPJRIC-UHFFFAOYSA-N
MW194.17 g/mol
LogP2.00
Rot. Bonds3

About 2-dimethoxyphosphoryloxane

2-dimethoxyphosphoryloxane (PubChem CID 12592196) has the molecular formula C7H15O4P and a molecular weight of 194.17 g/mol. Its IUPAC name is 2-dimethoxyphosphoryloxane.

Molecular Properties

Compound Name2-dimethoxyphosphoryloxane
PubChem CID12592196
Molecular FormulaC7H15O4P
Molecular Weight194.17 g/mol
Exact Mass194.07
IUPAC Name2-dimethoxyphosphoryloxane
SMILESCOP(=O)(OC)C1CCCCO1
InChIInChI=1S/C7H15O4P/c1-9-12(8,10-2)7-5-3-4-6-11-7/h7H,3-6H2,1-2H3
InChIKeyYDMLOSOESPJRIC-UHFFFAOYSA-N
XLogP2.00
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.17
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-dimethoxyphosphoryloxane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tris(oxan-2-yl) phosphate
CID 175007883
1-dimethoxyphosphoryl-3-(oxan-2-yloxy)heptan-2-one
CID 54345769
[cyclohexyl(methoxy)phosphoryl] hypofluorite
CID 175039350
2-methyloxane;hydrochloride
CID 141105834
2-methoxyoxepane
CID 24974084
ethane;formaldehyde;methane;2-methoxyoxane
CID 161263277
2-(dimethoxymethyl)oxane
CID 101048405
[butoxy(methoxy)phosphoryl]cyclohexane
CID 87127819
dimethoxy(oxan-2-yl)silane
CID 123986138
2-methyloxane;propane
CID 171074580
2-methyloxane sulfamate
CID 22223465
3-iodo-2-methoxyoxepane
CID 10923127

Frequently Asked Questions

What is the IUPAC name of 2-dimethoxyphosphoryloxane?
The IUPAC name of 2-dimethoxyphosphoryloxane (CID 12592196) is 2-dimethoxyphosphoryloxane.
What is the SMILES notation for 2-dimethoxyphosphoryloxane?
The canonical SMILES for 2-dimethoxyphosphoryloxane is COP(=O)(OC)C1CCCCO1.
What is the InChIKey of 2-dimethoxyphosphoryloxane?
The InChIKey is YDMLOSOESPJRIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15O4P/c1-9-12(8,10-2)7-5-3-4-6-11-7/h7H,3-6H2,1-2H3.
What are the key properties of 2-dimethoxyphosphoryloxane?
2-dimethoxyphosphoryloxane has a molecular weight of 194.17 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dimethoxyphosphoryloxane is sourced from PubChem (CID 12592196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).