tert-butyloxidanium

C4H11O+ — CID 59258481

IUPACtert-butyloxidanium
SMILESCC(C)(C)[OH2+]
InChIInChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3/p+1
InChIKeyDKGAVHZHDRPRBM-UHFFFAOYSA-O
MW75.13 g/mol
LogP0.51
Rot. Bonds

About tert-butyloxidanium

tert-butyloxidanium (PubChem CID 59258481) has the molecular formula C4H11O+ and a molecular weight of 75.13 g/mol. Its IUPAC name is tert-butyloxidanium.

Molecular Properties

Compound Nametert-butyloxidanium
PubChem CID59258481
Molecular FormulaC4H11O+
Molecular Weight75.13 g/mol
Exact Mass75.08
IUPAC Nametert-butyloxidanium
SMILESCC(C)(C)[OH2+]
InChIInChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3/p+1
InChIKeyDKGAVHZHDRPRBM-UHFFFAOYSA-O
XLogP0.51
TPSA22.90 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50075.13
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethylpropane;trihydrate
CID 172866132
chloromethane;2,2-dimethylpropane
CID 142899692
1,1,1-trifluoroethane
CID 91327996
1,1,1-trifluoroethane
CID 9868
2,2-dimethylpropane;ethane;methane
CID 157153388
2,2-dimethylpropane;molecular hydrogen
CID 142995896
CID 142215030
CID 142215030
2-methylpropane-2-selenol
CID 5252532
bis(2,2-dimethylpropane);ethane;methane
CID 161072251
2,2-difluoropropane
CID 160894634
2,2,3,3-tetramethylbutane;vanadium
CID 158970328
methyloxidanium
CID 12660727

Frequently Asked Questions

What is the IUPAC name of tert-butyloxidanium?
The IUPAC name of tert-butyloxidanium (CID 59258481) is tert-butyloxidanium.
What is the SMILES notation for tert-butyloxidanium?
The canonical SMILES for tert-butyloxidanium is CC(C)(C)[OH2+].
What is the InChIKey of tert-butyloxidanium?
The InChIKey is DKGAVHZHDRPRBM-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3/p+1.
What are the key properties of tert-butyloxidanium?
tert-butyloxidanium has a molecular weight of 75.13 g/mol, XLogP of 0.51, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyloxidanium is sourced from PubChem (CID 59258481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).