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

C7H17O3P — CID 91752261

IUPAC1-[methoxy(methyl)phosphoryl]oxy-2,2-dimethylpropane
SMILESCOP(C)(=O)OCC(C)(C)C
InChIInChI=1S/C7H17O3P/c1-7(2,3)6-10-11(5,8)9-4/h6H2,1-5H3
InChIKeyZHOQWIBGJWXPQU-UHFFFAOYSA-N
MW180.18 g/mol
LogP2.52
Rot. Bonds3

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

1-[methoxy(methyl)phosphoryl]oxy-2,2-dimethylpropane (PubChem CID 91752261) has the molecular formula C7H17O3P and a molecular weight of 180.18 g/mol. Its IUPAC name is 1-[methoxy(methyl)phosphoryl]oxy-2,2-dimethylpropane.

Molecular Properties

Compound Name1-[methoxy(methyl)phosphoryl]oxy-2,2-dimethylpropane
PubChem CID91752261
Molecular FormulaC7H17O3P
Molecular Weight180.18 g/mol
Exact Mass180.09
IUPAC Name1-[methoxy(methyl)phosphoryl]oxy-2,2-dimethylpropane
SMILESCOP(C)(=O)OCC(C)(C)C
InChIInChI=1S/C7H17O3P/c1-7(2,3)6-10-11(5,8)9-4/h6H2,1-5H3
InChIKeyZHOQWIBGJWXPQU-UHFFFAOYSA-N
XLogP2.52
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.18
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[methoxy(methyl)phosphoryl]oxy-2,2-dimethylpropane?
The IUPAC name of 1-[methoxy(methyl)phosphoryl]oxy-2,2-dimethylpropane (CID 91752261) is 1-[methoxy(methyl)phosphoryl]oxy-2,2-dimethylpropane.
What is the SMILES notation for 1-[methoxy(methyl)phosphoryl]oxy-2,2-dimethylpropane?
The canonical SMILES for 1-[methoxy(methyl)phosphoryl]oxy-2,2-dimethylpropane is COP(C)(=O)OCC(C)(C)C.
What is the InChIKey of 1-[methoxy(methyl)phosphoryl]oxy-2,2-dimethylpropane?
The InChIKey is ZHOQWIBGJWXPQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17O3P/c1-7(2,3)6-10-11(5,8)9-4/h6H2,1-5H3.
What are the key properties of 1-[methoxy(methyl)phosphoryl]oxy-2,2-dimethylpropane?
1-[methoxy(methyl)phosphoryl]oxy-2,2-dimethylpropane has a molecular weight of 180.18 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methoxy(methyl)phosphoryl]oxy-2,2-dimethylpropane is sourced from PubChem (CID 91752261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).