ethoxy-[(2-methylpropan-2-yl)oxy]-oxophosphanium

C6H14O3P+ — CID 6329156

IUPACethoxy-[(2-methylpropan-2-yl)oxy]-oxophosphanium
SMILESCCO[P+](=O)OC(C)(C)C
InChIInChI=1S/C6H14O3P/c1-5-8-10(7)9-6(2,3)4/h5H2,1-4H3/q+1
InChIKeyIKXIBDZJAKCHMS-UHFFFAOYSA-N
MW165.15 g/mol
LogP2.50
Rot. Bonds3

About ethoxy-[(2-methylpropan-2-yl)oxy]-oxophosphanium

ethoxy-[(2-methylpropan-2-yl)oxy]-oxophosphanium (PubChem CID 6329156) has the molecular formula C6H14O3P+ and a molecular weight of 165.15 g/mol. Its IUPAC name is ethoxy-[(2-methylpropan-2-yl)oxy]-oxophosphanium.

Molecular Properties

Compound Nameethoxy-[(2-methylpropan-2-yl)oxy]-oxophosphanium
PubChem CID6329156
Molecular FormulaC6H14O3P+
Molecular Weight165.15 g/mol
Exact Mass165.07
IUPAC Nameethoxy-[(2-methylpropan-2-yl)oxy]-oxophosphanium
SMILESCCO[P+](=O)OC(C)(C)C
InChIInChI=1S/C6H14O3P/c1-5-8-10(7)9-6(2,3)4/h5H2,1-4H3/q+1
InChIKeyIKXIBDZJAKCHMS-UHFFFAOYSA-N
XLogP2.50
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.15
LogP ≤ 52.50
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 ethoxy-[(2-methylpropan-2-yl)oxy]-oxophosphanium?
The IUPAC name of ethoxy-[(2-methylpropan-2-yl)oxy]-oxophosphanium (CID 6329156) is ethoxy-[(2-methylpropan-2-yl)oxy]-oxophosphanium.
What is the SMILES notation for ethoxy-[(2-methylpropan-2-yl)oxy]-oxophosphanium?
The canonical SMILES for ethoxy-[(2-methylpropan-2-yl)oxy]-oxophosphanium is CCO[P+](=O)OC(C)(C)C.
What is the InChIKey of ethoxy-[(2-methylpropan-2-yl)oxy]-oxophosphanium?
The InChIKey is IKXIBDZJAKCHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O3P/c1-5-8-10(7)9-6(2,3)4/h5H2,1-4H3/q+1.
What are the key properties of ethoxy-[(2-methylpropan-2-yl)oxy]-oxophosphanium?
ethoxy-[(2-methylpropan-2-yl)oxy]-oxophosphanium has a molecular weight of 165.15 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-[(2-methylpropan-2-yl)oxy]-oxophosphanium is sourced from PubChem (CID 6329156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).