2-hydroperoxy-2-methylpropane

C4H10O2 — CID 6410

IUPAC2-hydroperoxy-2-methylpropane
SMILESCC(C)(C)OO
InChIInChI=1S/C4H10O2/c1-4(2,3)6-5/h5H,1-3H3
InChIKeyCIHOLLKRGTVIJN-UHFFFAOYSA-N
MW90.12 g/mol
LogP1.27
Rot. Bonds

About 2-hydroperoxy-2-methylpropane

2-hydroperoxy-2-methylpropane (PubChem CID 6410) has the molecular formula C4H10O2 and a molecular weight of 90.12 g/mol. Its IUPAC name is 2-hydroperoxy-2-methylpropane.

Molecular Properties

Compound Name2-hydroperoxy-2-methylpropane
PubChem CID6410
Molecular FormulaC4H10O2
Molecular Weight90.12 g/mol
Exact Mass90.07
IUPAC Name2-hydroperoxy-2-methylpropane
SMILESCC(C)(C)OO
InChIInChI=1S/C4H10O2/c1-4(2,3)6-5/h5H,1-3H3
InChIKeyCIHOLLKRGTVIJN-UHFFFAOYSA-N
XLogP1.27
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50090.12
LogP ≤ 51.27
H-Bond Donors ≤ 51
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-hydroperoxy-2-methylpropane?
The IUPAC name of 2-hydroperoxy-2-methylpropane (CID 6410) is 2-hydroperoxy-2-methylpropane.
What is the SMILES notation for 2-hydroperoxy-2-methylpropane?
The canonical SMILES for 2-hydroperoxy-2-methylpropane is CC(C)(C)OO.
What is the InChIKey of 2-hydroperoxy-2-methylpropane?
The InChIKey is CIHOLLKRGTVIJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O2/c1-4(2,3)6-5/h5H,1-3H3.
What are the key properties of 2-hydroperoxy-2-methylpropane?
2-hydroperoxy-2-methylpropane has a molecular weight of 90.12 g/mol, XLogP of 1.27, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroperoxy-2-methylpropane is sourced from PubChem (CID 6410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).