2-hydroperoxy-2-methylpropane;2-methyloxirane

C7H16O3 — CID 158620192

IUPAC2-hydroperoxy-2-methylpropane;2-methyloxirane
SMILESCC(C)(C)OO.CC1CO1
InChIInChI=1S/C4H10O2.C3H6O/c1-4(2,3)6-5;1-3-2-4-3/h5H,1-3H3;3H,2H2,1H3
InChIKeyHXWZLALDSGVOCH-UHFFFAOYSA-N
MW148.20 g/mol
LogP1.68
Rot. Bonds

About 2-hydroperoxy-2-methylpropane;2-methyloxirane

2-hydroperoxy-2-methylpropane;2-methyloxirane (PubChem CID 158620192) has the molecular formula C7H16O3 and a molecular weight of 148.20 g/mol. Its IUPAC name is 2-hydroperoxy-2-methylpropane;2-methyloxirane.

Molecular Properties

Compound Name2-hydroperoxy-2-methylpropane;2-methyloxirane
PubChem CID158620192
Molecular FormulaC7H16O3
Molecular Weight148.20 g/mol
Exact Mass148.11
IUPAC Name2-hydroperoxy-2-methylpropane;2-methyloxirane
SMILESCC(C)(C)OO.CC1CO1
InChIInChI=1S/C4H10O2.C3H6O/c1-4(2,3)6-5;1-3-2-4-3/h5H,1-3H3;3H,2H2,1H3
InChIKeyHXWZLALDSGVOCH-UHFFFAOYSA-N
XLogP1.68
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.20
LogP ≤ 51.68
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'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydroperoxy-2-methylpropane;2-methyloxirane?
The IUPAC name of 2-hydroperoxy-2-methylpropane;2-methyloxirane (CID 158620192) is 2-hydroperoxy-2-methylpropane;2-methyloxirane.
What is the SMILES notation for 2-hydroperoxy-2-methylpropane;2-methyloxirane?
The canonical SMILES for 2-hydroperoxy-2-methylpropane;2-methyloxirane is CC(C)(C)OO.CC1CO1.
What is the InChIKey of 2-hydroperoxy-2-methylpropane;2-methyloxirane?
The InChIKey is HXWZLALDSGVOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O2.C3H6O/c1-4(2,3)6-5;1-3-2-4-3/h5H,1-3H3;3H,2H2,1H3.
What are the key properties of 2-hydroperoxy-2-methylpropane;2-methyloxirane?
2-hydroperoxy-2-methylpropane;2-methyloxirane has a molecular weight of 148.20 g/mol, XLogP of 1.68, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroperoxy-2-methylpropane;2-methyloxirane is sourced from PubChem (CID 158620192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).