2-methyl-2-(trioxidanyl)propane

C4H10O3 — CID 11116005

IUPAC2-methyl-2-(trioxidanyl)propane
SMILESCC(C)(C)OOO
InChIInChI=1S/C4H10O3/c1-4(2,3)6-7-5/h5H,1-3H3
InChIKeyKIFPIAKBYOIOCS-UHFFFAOYSA-N
MW106.12 g/mol
LogP1.21
Rot. Bonds1

About 2-methyl-2-(trioxidanyl)propane

2-methyl-2-(trioxidanyl)propane (PubChem CID 11116005) has the molecular formula C4H10O3 and a molecular weight of 106.12 g/mol. Its IUPAC name is 2-methyl-2-(trioxidanyl)propane.

Molecular Properties

Compound Name2-methyl-2-(trioxidanyl)propane
PubChem CID11116005
Molecular FormulaC4H10O3
Molecular Weight106.12 g/mol
Exact Mass106.06
IUPAC Name2-methyl-2-(trioxidanyl)propane
SMILESCC(C)(C)OOO
InChIInChI=1S/C4H10O3/c1-4(2,3)6-7-5/h5H,1-3H3
InChIKeyKIFPIAKBYOIOCS-UHFFFAOYSA-N
XLogP1.21
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.12
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(trioxidanyl)propane?
The IUPAC name of 2-methyl-2-(trioxidanyl)propane (CID 11116005) is 2-methyl-2-(trioxidanyl)propane.
What is the SMILES notation for 2-methyl-2-(trioxidanyl)propane?
The canonical SMILES for 2-methyl-2-(trioxidanyl)propane is CC(C)(C)OOO.
What is the InChIKey of 2-methyl-2-(trioxidanyl)propane?
The InChIKey is KIFPIAKBYOIOCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O3/c1-4(2,3)6-7-5/h5H,1-3H3.
What are the key properties of 2-methyl-2-(trioxidanyl)propane?
2-methyl-2-(trioxidanyl)propane has a molecular weight of 106.12 g/mol, XLogP of 1.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(trioxidanyl)propane is sourced from PubChem (CID 11116005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).