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

C6H14O2P+ — CID 87384012

IUPACethyl-[(2-methylpropan-2-yl)oxy]-oxophosphanium
SMILESCC[P+](=O)OC(C)(C)C
InChIInChI=1S/C6H14O2P/c1-5-9(7)8-6(2,3)4/h5H2,1-4H3/q+1
InChIKeyYTEDEORSFCFZNB-UHFFFAOYSA-N
MW149.15 g/mol
LogP2.56
Rot. Bonds2

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

ethyl-[(2-methylpropan-2-yl)oxy]-oxophosphanium (PubChem CID 87384012) has the molecular formula C6H14O2P+ and a molecular weight of 149.15 g/mol. Its IUPAC name is ethyl-[(2-methylpropan-2-yl)oxy]-oxophosphanium.

Molecular Properties

Compound Nameethyl-[(2-methylpropan-2-yl)oxy]-oxophosphanium
PubChem CID87384012
Molecular FormulaC6H14O2P+
Molecular Weight149.15 g/mol
Exact Mass149.07
IUPAC Nameethyl-[(2-methylpropan-2-yl)oxy]-oxophosphanium
SMILESCC[P+](=O)OC(C)(C)C
InChIInChI=1S/C6H14O2P/c1-5-9(7)8-6(2,3)4/h5H2,1-4H3/q+1
InChIKeyYTEDEORSFCFZNB-UHFFFAOYSA-N
XLogP2.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

CID 567178
CID 567178
CID 11094593
CID 11094593
CID 2785301
CID 2785301
CID 13998867
CID 13998867
CID 567264
CID 567264
CID 574786
CID 574786
CID 10630538
CID 10630538
CID 10558991
CID 10558991
CID 134885554
CID 134885554
CID 170850764
CID 170850764
CID 170850765
CID 170850765
CID 11321076
CID 11321076

Frequently Asked Questions

What is the IUPAC name of ethyl-[(2-methylpropan-2-yl)oxy]-oxophosphanium?
The IUPAC name of ethyl-[(2-methylpropan-2-yl)oxy]-oxophosphanium (CID 87384012) is ethyl-[(2-methylpropan-2-yl)oxy]-oxophosphanium.
What is the SMILES notation for ethyl-[(2-methylpropan-2-yl)oxy]-oxophosphanium?
The canonical SMILES for ethyl-[(2-methylpropan-2-yl)oxy]-oxophosphanium is CC[P+](=O)OC(C)(C)C.
What is the InChIKey of ethyl-[(2-methylpropan-2-yl)oxy]-oxophosphanium?
The InChIKey is YTEDEORSFCFZNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O2P/c1-5-9(7)8-6(2,3)4/h5H2,1-4H3/q+1.
What are the key properties of ethyl-[(2-methylpropan-2-yl)oxy]-oxophosphanium?
ethyl-[(2-methylpropan-2-yl)oxy]-oxophosphanium has a molecular weight of 149.15 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-[(2-methylpropan-2-yl)oxy]-oxophosphanium is sourced from PubChem (CID 87384012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).