2-methyl-2-oxidooxypropane

C4H9O2- — CID 6914496

IUPAC2-methyl-2-oxidooxypropane
SMILESCC(C)(C)O[O-]
InChIInChI=1S/C4H10O2/c1-4(2,3)6-5/h5H,1-3H3/p-1
InChIKeyCIHOLLKRGTVIJN-UHFFFAOYSA-M
MW89.11 g/mol
LogP0.08
Rot. Bonds

About 2-methyl-2-oxidooxypropane

2-methyl-2-oxidooxypropane (PubChem CID 6914496) has the molecular formula C4H9O2- and a molecular weight of 89.11 g/mol. Its IUPAC name is 2-methyl-2-oxidooxypropane.

Molecular Properties

Compound Name2-methyl-2-oxidooxypropane
PubChem CID6914496
Molecular FormulaC4H9O2-
Molecular Weight89.11 g/mol
Exact Mass89.06
IUPAC Name2-methyl-2-oxidooxypropane
SMILESCC(C)(C)O[O-]
InChIInChI=1S/C4H10O2/c1-4(2,3)6-5/h5H,1-3H3/p-1
InChIKeyCIHOLLKRGTVIJN-UHFFFAOYSA-M
XLogP0.08
TPSA32.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50089.11
LogP ≤ 50.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-oxidooxypropane?
The IUPAC name of 2-methyl-2-oxidooxypropane (CID 6914496) is 2-methyl-2-oxidooxypropane.
What is the SMILES notation for 2-methyl-2-oxidooxypropane?
The canonical SMILES for 2-methyl-2-oxidooxypropane is CC(C)(C)O[O-].
What is the InChIKey of 2-methyl-2-oxidooxypropane?
The InChIKey is CIHOLLKRGTVIJN-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H10O2/c1-4(2,3)6-5/h5H,1-3H3/p-1.
What are the key properties of 2-methyl-2-oxidooxypropane?
2-methyl-2-oxidooxypropane has a molecular weight of 89.11 g/mol, XLogP of 0.08, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-oxidooxypropane is sourced from PubChem (CID 6914496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).