4-methyl-2-methylperoxy-1-propan-2-ylcyclohexane

C11H22O2 — CID 87169407

IUPAC4-methyl-2-methylperoxy-1-propan-2-ylcyclohexane
SMILESCOOC1CC(C)CCC1C(C)C
InChIInChI=1S/C11H22O2/c1-8(2)10-6-5-9(3)7-11(10)13-12-4/h8-11H,5-7H2,1-4H3
InChIKeyYSHBBFWUTXFRCY-UHFFFAOYSA-N
MW186.29 g/mol
LogP3.03
Rot. Bonds3

About 4-methyl-2-methylperoxy-1-propan-2-ylcyclohexane

4-methyl-2-methylperoxy-1-propan-2-ylcyclohexane (PubChem CID 87169407) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 4-methyl-2-methylperoxy-1-propan-2-ylcyclohexane.

Molecular Properties

Compound Name4-methyl-2-methylperoxy-1-propan-2-ylcyclohexane
PubChem CID87169407
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name4-methyl-2-methylperoxy-1-propan-2-ylcyclohexane
SMILESCOOC1CC(C)CCC1C(C)C
InChIInChI=1S/C11H22O2/c1-8(2)10-6-5-9(3)7-11(10)13-12-4/h8-11H,5-7H2,1-4H3
InChIKeyYSHBBFWUTXFRCY-UHFFFAOYSA-N
XLogP3.03
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 53.03
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 4-methyl-2-methylperoxy-1-propan-2-ylcyclohexane?
The IUPAC name of 4-methyl-2-methylperoxy-1-propan-2-ylcyclohexane (CID 87169407) is 4-methyl-2-methylperoxy-1-propan-2-ylcyclohexane.
What is the SMILES notation for 4-methyl-2-methylperoxy-1-propan-2-ylcyclohexane?
The canonical SMILES for 4-methyl-2-methylperoxy-1-propan-2-ylcyclohexane is COOC1CC(C)CCC1C(C)C.
What is the InChIKey of 4-methyl-2-methylperoxy-1-propan-2-ylcyclohexane?
The InChIKey is YSHBBFWUTXFRCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-8(2)10-6-5-9(3)7-11(10)13-12-4/h8-11H,5-7H2,1-4H3.
What are the key properties of 4-methyl-2-methylperoxy-1-propan-2-ylcyclohexane?
4-methyl-2-methylperoxy-1-propan-2-ylcyclohexane has a molecular weight of 186.29 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-methylperoxy-1-propan-2-ylcyclohexane is sourced from PubChem (CID 87169407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).