2,3-dimethylbutan-2-yloxy(oxo)phosphanium;titanium

C6H14O2PTi+ — CID 157296443

IUPAC2,3-dimethylbutan-2-yloxy(oxo)phosphanium;titanium
SMILESCC(C)C(C)(C)O[PH+]=O.[Ti]
InChIInChI=1S/C6H14O2P.Ti/c1-5(2)6(3,4)8-9-7;/h5,9H,1-4H3;/q+1;
InChIKeyAEUCWNRDXAOCID-UHFFFAOYSA-N
MW197.02 g/mol
LogP2.37
Rot. Bonds3

About 2,3-dimethylbutan-2-yloxy(oxo)phosphanium;titanium

2,3-dimethylbutan-2-yloxy(oxo)phosphanium;titanium (PubChem CID 157296443) has the molecular formula C6H14O2PTi+ and a molecular weight of 197.02 g/mol. Its IUPAC name is 2,3-dimethylbutan-2-yloxy(oxo)phosphanium;titanium.

Molecular Properties

Compound Name2,3-dimethylbutan-2-yloxy(oxo)phosphanium;titanium
PubChem CID157296443
Molecular FormulaC6H14O2PTi+
Molecular Weight197.02 g/mol
Exact Mass197.02
IUPAC Name2,3-dimethylbutan-2-yloxy(oxo)phosphanium;titanium
SMILESCC(C)C(C)(C)O[PH+]=O.[Ti]
InChIInChI=1S/C6H14O2P.Ti/c1-5(2)6(3,4)8-9-7;/h5,9H,1-4H3;/q+1;
InChIKeyAEUCWNRDXAOCID-UHFFFAOYSA-N
XLogP2.37
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.02
LogP ≤ 52.37
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

O-(2,3-dimethylbutan-2-yl)hydroxylamine
CID 22013600
2-diaminophosphoryloxy-2,3-dimethylbutane
CID 88798989
2,3-dimethylbutan-2-yl carbamate
CID 20975410
2,3-dimethylbutan-2-yl hydrogen sulfite
CID 57072346
2,3,4,4-tetramethylpentan-2-yl nitrite
CID 22170421
(3-fluoro-2-methylbutan-2-yl) acetate
CID 153406673
ethane;2-ethoxy-2,3-dimethylbutane
CID 169190788
(4-dimethylphosphoryloxy-2,6-dimethylheptan-4-yl)oxy-oxophosphanium
CID 123675463
2,3-dimethylpent-4-en-2-yl nitrite
CID 88930288
2,3-dimethylbutan-2-ol;titanium
CID 151633599
2,3-dimethylbutan-2-yloxy 2-methylpropaneperoxoate
CID 89427724
(Z)-4-(2,3-dimethylbutan-2-yloxy)-4-oxobut-2-enoic acid
CID 88826298

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylbutan-2-yloxy(oxo)phosphanium;titanium?
The IUPAC name of 2,3-dimethylbutan-2-yloxy(oxo)phosphanium;titanium (CID 157296443) is 2,3-dimethylbutan-2-yloxy(oxo)phosphanium;titanium.
What is the SMILES notation for 2,3-dimethylbutan-2-yloxy(oxo)phosphanium;titanium?
The canonical SMILES for 2,3-dimethylbutan-2-yloxy(oxo)phosphanium;titanium is CC(C)C(C)(C)O[PH+]=O.[Ti].
What is the InChIKey of 2,3-dimethylbutan-2-yloxy(oxo)phosphanium;titanium?
The InChIKey is AEUCWNRDXAOCID-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O2P.Ti/c1-5(2)6(3,4)8-9-7;/h5,9H,1-4H3;/q+1;.
What are the key properties of 2,3-dimethylbutan-2-yloxy(oxo)phosphanium;titanium?
2,3-dimethylbutan-2-yloxy(oxo)phosphanium;titanium has a molecular weight of 197.02 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylbutan-2-yloxy(oxo)phosphanium;titanium is sourced from PubChem (CID 157296443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).