2-[di(propan-2-yl)amino]ethoxy-methyl-oxophosphanium

C9H21NO2P+ — CID 6329279

IUPAC2-[di(propan-2-yl)amino]ethoxy-methyl-oxophosphanium
SMILESCC(C)N(CCO[P+](C)=O)C(C)C
InChIInChI=1S/C9H21NO2P/c1-8(2)10(9(3)4)6-7-12-13(5)11/h8-9H,6-7H2,1-5H3/q+1
InChIKeyOGANEPQASORYLL-UHFFFAOYSA-N
MW206.25 g/mol
LogP2.49
Rot. Bonds6

About 2-[di(propan-2-yl)amino]ethoxy-methyl-oxophosphanium

2-[di(propan-2-yl)amino]ethoxy-methyl-oxophosphanium (PubChem CID 6329279) has the molecular formula C9H21NO2P+ and a molecular weight of 206.25 g/mol. Its IUPAC name is 2-[di(propan-2-yl)amino]ethoxy-methyl-oxophosphanium.

Molecular Properties

Compound Name2-[di(propan-2-yl)amino]ethoxy-methyl-oxophosphanium
PubChem CID6329279
Molecular FormulaC9H21NO2P+
Molecular Weight206.25 g/mol
Exact Mass206.13
IUPAC Name2-[di(propan-2-yl)amino]ethoxy-methyl-oxophosphanium
SMILESCC(C)N(CCO[P+](C)=O)C(C)C
InChIInChI=1S/C9H21NO2P/c1-8(2)10(9(3)4)6-7-12-13(5)11/h8-9H,6-7H2,1-5H3/q+1
InChIKeyOGANEPQASORYLL-UHFFFAOYSA-N
XLogP2.49
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 52.49
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-[di(propan-2-yl)amino]ethoxy-methyl-oxophosphanium?
The IUPAC name of 2-[di(propan-2-yl)amino]ethoxy-methyl-oxophosphanium (CID 6329279) is 2-[di(propan-2-yl)amino]ethoxy-methyl-oxophosphanium.
What is the SMILES notation for 2-[di(propan-2-yl)amino]ethoxy-methyl-oxophosphanium?
The canonical SMILES for 2-[di(propan-2-yl)amino]ethoxy-methyl-oxophosphanium is CC(C)N(CCO[P+](C)=O)C(C)C.
What is the InChIKey of 2-[di(propan-2-yl)amino]ethoxy-methyl-oxophosphanium?
The InChIKey is OGANEPQASORYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2P/c1-8(2)10(9(3)4)6-7-12-13(5)11/h8-9H,6-7H2,1-5H3/q+1.
What are the key properties of 2-[di(propan-2-yl)amino]ethoxy-methyl-oxophosphanium?
2-[di(propan-2-yl)amino]ethoxy-methyl-oxophosphanium has a molecular weight of 206.25 g/mol, XLogP of 2.49, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[di(propan-2-yl)amino]ethoxy-methyl-oxophosphanium is sourced from PubChem (CID 6329279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).