2-methyl-1-[methyl(propoxy)phosphoryl]oxypropane

C8H19O3P — CID 86168978

IUPAC2-methyl-1-[methyl(propoxy)phosphoryl]oxypropane
SMILESCCCOP(C)(=O)OCC(C)C
InChIInChI=1S/C8H19O3P/c1-5-6-10-12(4,9)11-7-8(2)3/h8H,5-7H2,1-4H3
InChIKeyZESKDGDIZORFQI-UHFFFAOYSA-N
MW194.21 g/mol
LogP2.91
Rot. Bonds6

About 2-methyl-1-[methyl(propoxy)phosphoryl]oxypropane

2-methyl-1-[methyl(propoxy)phosphoryl]oxypropane (PubChem CID 86168978) has the molecular formula C8H19O3P and a molecular weight of 194.21 g/mol. Its IUPAC name is 2-methyl-1-[methyl(propoxy)phosphoryl]oxypropane.

Molecular Properties

Compound Name2-methyl-1-[methyl(propoxy)phosphoryl]oxypropane
PubChem CID86168978
Molecular FormulaC8H19O3P
Molecular Weight194.21 g/mol
Exact Mass194.11
IUPAC Name2-methyl-1-[methyl(propoxy)phosphoryl]oxypropane
SMILESCCCOP(C)(=O)OCC(C)C
InChIInChI=1S/C8H19O3P/c1-5-6-10-12(4,9)11-7-8(2)3/h8H,5-7H2,1-4H3
InChIKeyZESKDGDIZORFQI-UHFFFAOYSA-N
XLogP2.91
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.21
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-methoxyethoxy(methyl)phosphoryl]oxy-2-methylpropane
CID 170850888
1-[methyl(propoxy)phosphoryl]oxypropane
CID 566276
2-methyl-1-[methyl(2-methylpentoxy)phosphoryl]oxypentane
CID 566127
2-methyl-1-[methyl(2-methylbutoxy)phosphoryl]oxybutane
CID 170850967
bis(2-methylpropyl) pentyl phosphate
CID 54560421
1-[methyl(octoxy)phosphoryl]oxyoctane
CID 15779
ethyl (2S)-3,3,3-trifluoro-2-[methyl(2-methylpropoxy)phosphoryl]oxypropanoate
CID 11864406
2-methylpropyl phosphate
CID 22629809
1-[butoxy(methyl)phosphoryl]oxydecane
CID 89088308
3-[[2-ethylhexoxy(methyl)phosphoryl]oxymethyl]heptane
CID 566100
1-[bis(2-methylpropoxy)phosphoryl]hexadecane
CID 172712783
1-[bis(2-methylpropoxy)phosphorylsulfanyl-(2-methylpropoxy)phosphoryl]oxy-2-methylpropane
CID 134977347

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[methyl(propoxy)phosphoryl]oxypropane?
The IUPAC name of 2-methyl-1-[methyl(propoxy)phosphoryl]oxypropane (CID 86168978) is 2-methyl-1-[methyl(propoxy)phosphoryl]oxypropane.
What is the SMILES notation for 2-methyl-1-[methyl(propoxy)phosphoryl]oxypropane?
The canonical SMILES for 2-methyl-1-[methyl(propoxy)phosphoryl]oxypropane is CCCOP(C)(=O)OCC(C)C.
What is the InChIKey of 2-methyl-1-[methyl(propoxy)phosphoryl]oxypropane?
The InChIKey is ZESKDGDIZORFQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19O3P/c1-5-6-10-12(4,9)11-7-8(2)3/h8H,5-7H2,1-4H3.
What are the key properties of 2-methyl-1-[methyl(propoxy)phosphoryl]oxypropane?
2-methyl-1-[methyl(propoxy)phosphoryl]oxypropane has a molecular weight of 194.21 g/mol, XLogP of 2.91, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[methyl(propoxy)phosphoryl]oxypropane is sourced from PubChem (CID 86168978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).