methoxy-(2-methylbutan-2-yl)-oxophosphanium

C6H14O2P+ — CID 59746139

IUPACmethoxy-(2-methylbutan-2-yl)-oxophosphanium
SMILESCCC(C)(C)[P+](=O)OC
InChIInChI=1S/C6H14O2P/c1-5-6(2,3)9(7)8-4/h5H2,1-4H3/q+1
InChIKeyPQXIOZYECDVYSR-UHFFFAOYSA-N
MW149.15 g/mol
LogP2.56
Rot. Bonds3

About methoxy-(2-methylbutan-2-yl)-oxophosphanium

methoxy-(2-methylbutan-2-yl)-oxophosphanium (PubChem CID 59746139) has the molecular formula C6H14O2P+ and a molecular weight of 149.15 g/mol. Its IUPAC name is methoxy-(2-methylbutan-2-yl)-oxophosphanium.

Molecular Properties

Compound Namemethoxy-(2-methylbutan-2-yl)-oxophosphanium
PubChem CID59746139
Molecular FormulaC6H14O2P+
Molecular Weight149.15 g/mol
Exact Mass149.07
IUPAC Namemethoxy-(2-methylbutan-2-yl)-oxophosphanium
SMILESCCC(C)(C)[P+](=O)OC
InChIInChI=1S/C6H14O2P/c1-5-6(2,3)9(7)8-4/h5H2,1-4H3/q+1
InChIKeyPQXIOZYECDVYSR-UHFFFAOYSA-N
XLogP2.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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

1,1-dimethoxypropyl-methoxy-oxophosphanium
CID 87455518
pentakis(decane);hydroxy-methoxy-oxophosphanium
CID 173118526
methyl 2-methylbutane-2-sulfinate
CID 134928940
hydroxy-methoxy-oxophosphanium;tetradecane
CID 87604776
4-ethyl-4-methoxy-2,2-dimethylhexan-3-one
CID 116747534
diethylamino-methoxy-oxophosphanium
CID 15437034
3-bromo-3-methylpentane;dihydroxy(oxo)phosphanium
CID 159355693
2-carboxyethoxy-(2-methylheptan-2-yl)-oxophosphanium
CID 87599875
2-methoxy-2-methylpropane;pentane
CID 22145886
1,1-difluorobutyl-ethoxy-oxophosphanium
CID 10261826
magnesium;ethoxy-methoxy-oxophosphanium;hydride
CID 175376011
bis(3-fluoropentan-3-yloxy)-oxophosphanium
CID 88634280

Frequently Asked Questions

What is the IUPAC name of methoxy-(2-methylbutan-2-yl)-oxophosphanium?
The IUPAC name of methoxy-(2-methylbutan-2-yl)-oxophosphanium (CID 59746139) is methoxy-(2-methylbutan-2-yl)-oxophosphanium.
What is the SMILES notation for methoxy-(2-methylbutan-2-yl)-oxophosphanium?
The canonical SMILES for methoxy-(2-methylbutan-2-yl)-oxophosphanium is CCC(C)(C)[P+](=O)OC.
What is the InChIKey of methoxy-(2-methylbutan-2-yl)-oxophosphanium?
The InChIKey is PQXIOZYECDVYSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O2P/c1-5-6(2,3)9(7)8-4/h5H2,1-4H3/q+1.
What are the key properties of methoxy-(2-methylbutan-2-yl)-oxophosphanium?
methoxy-(2-methylbutan-2-yl)-oxophosphanium has a molecular weight of 149.15 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy-(2-methylbutan-2-yl)-oxophosphanium is sourced from PubChem (CID 59746139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).