1-methylperoxypropan-2-ylcyclohexane

C10H20O2 — CID 58133241

IUPAC1-methylperoxypropan-2-ylcyclohexane
SMILESCOOCC(C)C1CCCCC1
InChIInChI=1S/C10H20O2/c1-9(8-12-11-2)10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3
InChIKeyCVUJYVVPFIXOOG-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.78
Rot. Bonds4

About 1-methylperoxypropan-2-ylcyclohexane

1-methylperoxypropan-2-ylcyclohexane (PubChem CID 58133241) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 1-methylperoxypropan-2-ylcyclohexane.

Molecular Properties

Compound Name1-methylperoxypropan-2-ylcyclohexane
PubChem CID58133241
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name1-methylperoxypropan-2-ylcyclohexane
SMILESCOOCC(C)C1CCCCC1
InChIInChI=1S/C10H20O2/c1-9(8-12-11-2)10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3
InChIKeyCVUJYVVPFIXOOG-UHFFFAOYSA-N
XLogP2.78
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.78
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 1-methylperoxypropan-2-ylcyclohexane?
The IUPAC name of 1-methylperoxypropan-2-ylcyclohexane (CID 58133241) is 1-methylperoxypropan-2-ylcyclohexane.
What is the SMILES notation for 1-methylperoxypropan-2-ylcyclohexane?
The canonical SMILES for 1-methylperoxypropan-2-ylcyclohexane is COOCC(C)C1CCCCC1.
What is the InChIKey of 1-methylperoxypropan-2-ylcyclohexane?
The InChIKey is CVUJYVVPFIXOOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-9(8-12-11-2)10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3.
What are the key properties of 1-methylperoxypropan-2-ylcyclohexane?
1-methylperoxypropan-2-ylcyclohexane has a molecular weight of 172.27 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylperoxypropan-2-ylcyclohexane is sourced from PubChem (CID 58133241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).