2-hydroperoxy-2-methylhexane

C7H16O2 — CID 12809144

IUPAC2-hydroperoxy-2-methylhexane
SMILESCCCCC(C)(C)OO
InChIInChI=1S/C7H16O2/c1-4-5-6-7(2,3)9-8/h8H,4-6H2,1-3H3
InChIKeyVERXWMXNIBWXFV-UHFFFAOYSA-N
MW132.20 g/mol
LogP2.44
Rot. Bonds4

About 2-hydroperoxy-2-methylhexane

2-hydroperoxy-2-methylhexane (PubChem CID 12809144) has the molecular formula C7H16O2 and a molecular weight of 132.20 g/mol. Its IUPAC name is 2-hydroperoxy-2-methylhexane.

Molecular Properties

Compound Name2-hydroperoxy-2-methylhexane
PubChem CID12809144
Molecular FormulaC7H16O2
Molecular Weight132.20 g/mol
Exact Mass132.12
IUPAC Name2-hydroperoxy-2-methylhexane
SMILESCCCCC(C)(C)OO
InChIInChI=1S/C7H16O2/c1-4-5-6-7(2,3)9-8/h8H,4-6H2,1-3H3
InChIKeyVERXWMXNIBWXFV-UHFFFAOYSA-N
XLogP2.44
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.20
LogP ≤ 52.44
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-methylhexane?
The IUPAC name of 2-hydroperoxy-2-methylhexane (CID 12809144) is 2-hydroperoxy-2-methylhexane.
What is the SMILES notation for 2-hydroperoxy-2-methylhexane?
The canonical SMILES for 2-hydroperoxy-2-methylhexane is CCCCC(C)(C)OO.
What is the InChIKey of 2-hydroperoxy-2-methylhexane?
The InChIKey is VERXWMXNIBWXFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O2/c1-4-5-6-7(2,3)9-8/h8H,4-6H2,1-3H3.
What are the key properties of 2-hydroperoxy-2-methylhexane?
2-hydroperoxy-2-methylhexane has a molecular weight of 132.20 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroperoxy-2-methylhexane is sourced from PubChem (CID 12809144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).