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

C5H12O2P+ — CID 10630538

IUPACmethyl-[(2-methylpropan-2-yl)oxy]-oxophosphanium
SMILESC[P+](=O)OC(C)(C)C
InChIInChI=1S/C5H12O2P/c1-5(2,3)7-8(4)6/h1-4H3/q+1
InChIKeyWAJJTENTPVKPHM-UHFFFAOYSA-N
MW135.12 g/mol
LogP2.17
Rot. Bonds1

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

methyl-[(2-methylpropan-2-yl)oxy]-oxophosphanium (PubChem CID 10630538) has the molecular formula C5H12O2P+ and a molecular weight of 135.12 g/mol. Its IUPAC name is methyl-[(2-methylpropan-2-yl)oxy]-oxophosphanium.

Molecular Properties

Compound Namemethyl-[(2-methylpropan-2-yl)oxy]-oxophosphanium
PubChem CID10630538
Molecular FormulaC5H12O2P+
Molecular Weight135.12 g/mol
Exact Mass135.06
IUPAC Namemethyl-[(2-methylpropan-2-yl)oxy]-oxophosphanium
SMILESC[P+](=O)OC(C)(C)C
InChIInChI=1S/C5H12O2P/c1-5(2,3)7-8(4)6/h1-4H3/q+1
InChIKeyWAJJTENTPVKPHM-UHFFFAOYSA-N
XLogP2.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.12
LogP ≤ 52.17
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

Bis(1,1-dimethylethyl) phosphonate
CID 6335290
2-Methyl-2-butyl methylphosphonofluoridate
CID 567178
tert-Butyl phosphate
CID 150997
t-Butyl phosphinate
CID 11094593
DI-Tert-butyl methylphosphonate
CID 2785301
Phosphoric acid,mono(1,1-dimethylethyl) ester
CID 13998867
2-Methyl-2-propyl methylphosphonofluoridate
CID 567264
2-[Fluoromethyl-[(2-methylpropan-2-yl)oxy]phosphoryl]oxy-2-methylpropane
CID 54453789
Ethyl-[(2-methylpropan-2-yl)oxy]-oxophosphanium
CID 87384012
2-[Tert-butyl(fluoro)phosphoryl]oxy-2-methylpropane
CID 139637420
Phosphonic acid, 1,1-dimethylethyl ethyl ester
CID 6329156
2-[Methoxy(methyl)phosphoryl]oxy-2-methylpropane
CID 10558991

Frequently Asked Questions

What is the IUPAC name of methyl-[(2-methylpropan-2-yl)oxy]-oxophosphanium?
The IUPAC name of methyl-[(2-methylpropan-2-yl)oxy]-oxophosphanium (CID 10630538) is methyl-[(2-methylpropan-2-yl)oxy]-oxophosphanium.
What is the SMILES notation for methyl-[(2-methylpropan-2-yl)oxy]-oxophosphanium?
The canonical SMILES for methyl-[(2-methylpropan-2-yl)oxy]-oxophosphanium is C[P+](=O)OC(C)(C)C.
What is the InChIKey of methyl-[(2-methylpropan-2-yl)oxy]-oxophosphanium?
The InChIKey is WAJJTENTPVKPHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O2P/c1-5(2,3)7-8(4)6/h1-4H3/q+1.
What are the key properties of methyl-[(2-methylpropan-2-yl)oxy]-oxophosphanium?
methyl-[(2-methylpropan-2-yl)oxy]-oxophosphanium has a molecular weight of 135.12 g/mol, XLogP of 2.17, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[(2-methylpropan-2-yl)oxy]-oxophosphanium is sourced from PubChem (CID 10630538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).