2-methyl-2-[(2-methylpropan-2-yl)oxy-propylphosphoryl]oxypropane

C11H25O3P — CID 91347347

IUPAC2-methyl-2-[(2-methylpropan-2-yl)oxy-propylphosphoryl]oxypropane
SMILESCCCP(=O)(OC(C)(C)C)OC(C)(C)C
InChIInChI=1S/C11H25O3P/c1-8-9-15(12,13-10(2,3)4)14-11(5,6)7/h8-9H2,1-7H3
InChIKeySOEJZIQNAYWBIQ-UHFFFAOYSA-N
MW236.29 g/mol
LogP4.22
Rot. Bonds4

About 2-methyl-2-[(2-methylpropan-2-yl)oxy-propylphosphoryl]oxypropane

2-methyl-2-[(2-methylpropan-2-yl)oxy-propylphosphoryl]oxypropane (PubChem CID 91347347) has the molecular formula C11H25O3P and a molecular weight of 236.29 g/mol. Its IUPAC name is 2-methyl-2-[(2-methylpropan-2-yl)oxy-propylphosphoryl]oxypropane.

Molecular Properties

Compound Name2-methyl-2-[(2-methylpropan-2-yl)oxy-propylphosphoryl]oxypropane
PubChem CID91347347
Molecular FormulaC11H25O3P
Molecular Weight236.29 g/mol
Exact Mass236.15
IUPAC Name2-methyl-2-[(2-methylpropan-2-yl)oxy-propylphosphoryl]oxypropane
SMILESCCCP(=O)(OC(C)(C)C)OC(C)(C)C
InChIInChI=1S/C11H25O3P/c1-8-9-15(12,13-10(2,3)4)14-11(5,6)7/h8-9H2,1-7H3
InChIKeySOEJZIQNAYWBIQ-UHFFFAOYSA-N
XLogP4.22
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 54.22
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

Phosphoric acid, bis(1,1-dimethylethyl) ester
CID 429756
Bis(1,1-dimethylethyl) phosphonate
CID 6335290
Phosphoric acid, tris(1,1-dimethylethyl) ester
CID 567509
DI-Tert-butyl methylphosphonate
CID 2785301
Ditert-butyl phosphate
CID 4191557
Dimethyl [2-(t-butyl-peroxy)ethyl]phosphonate
CID 12564469
Silver di-tert-butyl phosphate
CID 18428988
1,1-Dimethylpropyl ethylphosphonofluoridate
CID 574786
Methyl-[(2-methylpropan-2-yl)oxy]-oxophosphanium
CID 10630538
Potassium di-tert-butyl phosphate
CID 23674467
2-[Fluoromethyl-[(2-methylpropan-2-yl)oxy]phosphoryl]oxy-2-methylpropane
CID 54453789
Ethyl-[(2-methylpropan-2-yl)oxy]-oxophosphanium
CID 87384012

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(2-methylpropan-2-yl)oxy-propylphosphoryl]oxypropane?
The IUPAC name of 2-methyl-2-[(2-methylpropan-2-yl)oxy-propylphosphoryl]oxypropane (CID 91347347) is 2-methyl-2-[(2-methylpropan-2-yl)oxy-propylphosphoryl]oxypropane.
What is the SMILES notation for 2-methyl-2-[(2-methylpropan-2-yl)oxy-propylphosphoryl]oxypropane?
The canonical SMILES for 2-methyl-2-[(2-methylpropan-2-yl)oxy-propylphosphoryl]oxypropane is CCCP(=O)(OC(C)(C)C)OC(C)(C)C.
What is the InChIKey of 2-methyl-2-[(2-methylpropan-2-yl)oxy-propylphosphoryl]oxypropane?
The InChIKey is SOEJZIQNAYWBIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25O3P/c1-8-9-15(12,13-10(2,3)4)14-11(5,6)7/h8-9H2,1-7H3.
What are the key properties of 2-methyl-2-[(2-methylpropan-2-yl)oxy-propylphosphoryl]oxypropane?
2-methyl-2-[(2-methylpropan-2-yl)oxy-propylphosphoryl]oxypropane has a molecular weight of 236.29 g/mol, XLogP of 4.22, 4 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-propylphosphoryl]oxypropane is sourced from PubChem (CID 91347347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).