2-methyl-2-[(2-methylpropan-2-yl)oxy-prop-1-enylphosphoryl]oxypropane

C11H23O3P — CID 57192868

IUPAC2-methyl-2-[(2-methylpropan-2-yl)oxy-prop-1-enylphosphoryl]oxypropane
SMILESCC=CP(=O)(OC(C)(C)C)OC(C)(C)C
InChIInChI=1S/C11H23O3P/c1-8-9-15(12,13-10(2,3)4)14-11(5,6)7/h8-9H,1-7H3
InChIKeyJGVWOXDBNKSJCM-UHFFFAOYSA-N
MW234.28 g/mol
LogP4.34
Rot. Bonds3

About 2-methyl-2-[(2-methylpropan-2-yl)oxy-prop-1-enylphosphoryl]oxypropane

2-methyl-2-[(2-methylpropan-2-yl)oxy-prop-1-enylphosphoryl]oxypropane (PubChem CID 57192868) has the molecular formula C11H23O3P and a molecular weight of 234.28 g/mol. Its IUPAC name is 2-methyl-2-[(2-methylpropan-2-yl)oxy-prop-1-enylphosphoryl]oxypropane.

Molecular Properties

Compound Name2-methyl-2-[(2-methylpropan-2-yl)oxy-prop-1-enylphosphoryl]oxypropane
PubChem CID57192868
Molecular FormulaC11H23O3P
Molecular Weight234.28 g/mol
Exact Mass234.14
IUPAC Name2-methyl-2-[(2-methylpropan-2-yl)oxy-prop-1-enylphosphoryl]oxypropane
SMILESCC=CP(=O)(OC(C)(C)C)OC(C)(C)C
InChIInChI=1S/C11H23O3P/c1-8-9-15(12,13-10(2,3)4)14-11(5,6)7/h8-9H,1-7H3
InChIKeyJGVWOXDBNKSJCM-UHFFFAOYSA-N
XLogP4.34
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 54.34
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-2-[(2-methylpropan-2-yl)oxy-prop-1-enylphosphoryl]oxypropane?
The IUPAC name of 2-methyl-2-[(2-methylpropan-2-yl)oxy-prop-1-enylphosphoryl]oxypropane (CID 57192868) is 2-methyl-2-[(2-methylpropan-2-yl)oxy-prop-1-enylphosphoryl]oxypropane.
What is the SMILES notation for 2-methyl-2-[(2-methylpropan-2-yl)oxy-prop-1-enylphosphoryl]oxypropane?
The canonical SMILES for 2-methyl-2-[(2-methylpropan-2-yl)oxy-prop-1-enylphosphoryl]oxypropane is CC=CP(=O)(OC(C)(C)C)OC(C)(C)C.
What is the InChIKey of 2-methyl-2-[(2-methylpropan-2-yl)oxy-prop-1-enylphosphoryl]oxypropane?
The InChIKey is JGVWOXDBNKSJCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23O3P/c1-8-9-15(12,13-10(2,3)4)14-11(5,6)7/h8-9H,1-7H3.
What are the key properties of 2-methyl-2-[(2-methylpropan-2-yl)oxy-prop-1-enylphosphoryl]oxypropane?
2-methyl-2-[(2-methylpropan-2-yl)oxy-prop-1-enylphosphoryl]oxypropane has a molecular weight of 234.28 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(2-methylpropan-2-yl)oxy-prop-1-enylphosphoryl]oxypropane is sourced from PubChem (CID 57192868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).