2-methyl-1-[2-methylpropoxy(propyl)phosphoryl]oxypropane

C11H25O3P — CID 580447

IUPAC2-methyl-1-[2-methylpropoxy(propyl)phosphoryl]oxypropane
SMILESCCCP(=O)(OCC(C)C)OCC(C)C
InChIInChI=1S/C11H25O3P/c1-6-7-15(12,13-8-10(2)3)14-9-11(4)5/h10-11H,6-9H2,1-5H3
InChIKeyCKPWXGQIFOQADL-UHFFFAOYSA-N
MW236.29 g/mol
LogP3.93
Rot. Bonds8

About 2-methyl-1-[2-methylpropoxy(propyl)phosphoryl]oxypropane

2-methyl-1-[2-methylpropoxy(propyl)phosphoryl]oxypropane (PubChem CID 580447) has the molecular formula C11H25O3P and a molecular weight of 236.29 g/mol. Its IUPAC name is 2-methyl-1-[2-methylpropoxy(propyl)phosphoryl]oxypropane.

Molecular Properties

Compound Name2-methyl-1-[2-methylpropoxy(propyl)phosphoryl]oxypropane
PubChem CID580447
Molecular FormulaC11H25O3P
Molecular Weight236.29 g/mol
Exact Mass236.15
IUPAC Name2-methyl-1-[2-methylpropoxy(propyl)phosphoryl]oxypropane
SMILESCCCP(=O)(OCC(C)C)OCC(C)C
InChIInChI=1S/C11H25O3P/c1-6-7-15(12,13-8-10(2)3)14-9-11(4)5/h10-11H,6-9H2,1-5H3
InChIKeyCKPWXGQIFOQADL-UHFFFAOYSA-N
XLogP3.93
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 53.93
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 2-methyl-1-[2-methylpropoxy(propyl)phosphoryl]oxypropane?
The IUPAC name of 2-methyl-1-[2-methylpropoxy(propyl)phosphoryl]oxypropane (CID 580447) is 2-methyl-1-[2-methylpropoxy(propyl)phosphoryl]oxypropane.
What is the SMILES notation for 2-methyl-1-[2-methylpropoxy(propyl)phosphoryl]oxypropane?
The canonical SMILES for 2-methyl-1-[2-methylpropoxy(propyl)phosphoryl]oxypropane is CCCP(=O)(OCC(C)C)OCC(C)C.
What is the InChIKey of 2-methyl-1-[2-methylpropoxy(propyl)phosphoryl]oxypropane?
The InChIKey is CKPWXGQIFOQADL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25O3P/c1-6-7-15(12,13-8-10(2)3)14-9-11(4)5/h10-11H,6-9H2,1-5H3.
What are the key properties of 2-methyl-1-[2-methylpropoxy(propyl)phosphoryl]oxypropane?
2-methyl-1-[2-methylpropoxy(propyl)phosphoryl]oxypropane has a molecular weight of 236.29 g/mol, XLogP of 3.93, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-methylpropoxy(propyl)phosphoryl]oxypropane is sourced from PubChem (CID 580447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).