[2-methyl-3-(2-methylpropoxy)-3-oxopropyl]-[1-(2-methylpropoxy)ethyl]-oxophosphanium

C14H28O4P+ — CID 90417029

IUPAC[2-methyl-3-(2-methylpropoxy)-3-oxopropyl]-[1-(2-methylpropoxy)ethyl]-oxophosphanium
SMILESCC(C)COC(=O)C(C)C[P+](=O)C(C)OCC(C)C
InChIInChI=1S/C14H28O4P/c1-10(2)7-17-13(6)19(16)9-12(5)14(15)18-8-11(3)4/h10-13H,7-9H2,1-6H3/q+1
InChIKeyFRKXRQNZFYBJMU-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.67
Rot. Bonds9

About [2-methyl-3-(2-methylpropoxy)-3-oxopropyl]-[1-(2-methylpropoxy)ethyl]-oxophosphanium

[2-methyl-3-(2-methylpropoxy)-3-oxopropyl]-[1-(2-methylpropoxy)ethyl]-oxophosphanium (PubChem CID 90417029) has the molecular formula C14H28O4P+ and a molecular weight of 291.35 g/mol. Its IUPAC name is [2-methyl-3-(2-methylpropoxy)-3-oxopropyl]-[1-(2-methylpropoxy)ethyl]-oxophosphanium.

Molecular Properties

Compound Name[2-methyl-3-(2-methylpropoxy)-3-oxopropyl]-[1-(2-methylpropoxy)ethyl]-oxophosphanium
PubChem CID90417029
Molecular FormulaC14H28O4P+
Molecular Weight291.35 g/mol
Exact Mass291.17
IUPAC Name[2-methyl-3-(2-methylpropoxy)-3-oxopropyl]-[1-(2-methylpropoxy)ethyl]-oxophosphanium
SMILESCC(C)COC(=O)C(C)C[P+](=O)C(C)OCC(C)C
InChIInChI=1S/C14H28O4P/c1-10(2)7-17-13(6)19(16)9-12(5)14(15)18-8-11(3)4/h10-13H,7-9H2,1-6H3/q+1
InChIKeyFRKXRQNZFYBJMU-UHFFFAOYSA-N
XLogP3.67
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-3-(2-methylpropoxy)-3-oxopropyl]-[1-(2-methylpropoxy)ethyl]-oxophosphanium?
The IUPAC name of [2-methyl-3-(2-methylpropoxy)-3-oxopropyl]-[1-(2-methylpropoxy)ethyl]-oxophosphanium (CID 90417029) is [2-methyl-3-(2-methylpropoxy)-3-oxopropyl]-[1-(2-methylpropoxy)ethyl]-oxophosphanium.
What is the SMILES notation for [2-methyl-3-(2-methylpropoxy)-3-oxopropyl]-[1-(2-methylpropoxy)ethyl]-oxophosphanium?
The canonical SMILES for [2-methyl-3-(2-methylpropoxy)-3-oxopropyl]-[1-(2-methylpropoxy)ethyl]-oxophosphanium is CC(C)COC(=O)C(C)C[P+](=O)C(C)OCC(C)C.
What is the InChIKey of [2-methyl-3-(2-methylpropoxy)-3-oxopropyl]-[1-(2-methylpropoxy)ethyl]-oxophosphanium?
The InChIKey is FRKXRQNZFYBJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O4P/c1-10(2)7-17-13(6)19(16)9-12(5)14(15)18-8-11(3)4/h10-13H,7-9H2,1-6H3/q+1.
What are the key properties of [2-methyl-3-(2-methylpropoxy)-3-oxopropyl]-[1-(2-methylpropoxy)ethyl]-oxophosphanium?
[2-methyl-3-(2-methylpropoxy)-3-oxopropyl]-[1-(2-methylpropoxy)ethyl]-oxophosphanium has a molecular weight of 291.35 g/mol, XLogP of 3.67, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-3-(2-methylpropoxy)-3-oxopropyl]-[1-(2-methylpropoxy)ethyl]-oxophosphanium is sourced from PubChem (CID 90417029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).