1-methyl-1-(1-methylcyclohexyl)peroxycyclohexane

C14H26O2 — CID 19090310

IUPAC1-methyl-1-(1-methylcyclohexyl)peroxycyclohexane
SMILESCC1(OOC2(C)CCCCC2)CCCCC1
InChIInChI=1S/C14H26O2/c1-13(9-5-3-6-10-13)15-16-14(2)11-7-4-8-12-14/h3-12H2,1-2H3
InChIKeyHGSMFMWMPFXUSE-UHFFFAOYSA-N
MW226.36 g/mol
LogP4.38
Rot. Bonds3

About 1-methyl-1-(1-methylcyclohexyl)peroxycyclohexane

1-methyl-1-(1-methylcyclohexyl)peroxycyclohexane (PubChem CID 19090310) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 1-methyl-1-(1-methylcyclohexyl)peroxycyclohexane.

Molecular Properties

Compound Name1-methyl-1-(1-methylcyclohexyl)peroxycyclohexane
PubChem CID19090310
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name1-methyl-1-(1-methylcyclohexyl)peroxycyclohexane
SMILESCC1(OOC2(C)CCCCC2)CCCCC1
InChIInChI=1S/C14H26O2/c1-13(9-5-3-6-10-13)15-16-14(2)11-7-4-8-12-14/h3-12H2,1-2H3
InChIKeyHGSMFMWMPFXUSE-UHFFFAOYSA-N
XLogP4.38
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 54.38
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-methyl-1-(1-methylcyclohexyl)peroxycyclohexane?
The IUPAC name of 1-methyl-1-(1-methylcyclohexyl)peroxycyclohexane (CID 19090310) is 1-methyl-1-(1-methylcyclohexyl)peroxycyclohexane.
What is the SMILES notation for 1-methyl-1-(1-methylcyclohexyl)peroxycyclohexane?
The canonical SMILES for 1-methyl-1-(1-methylcyclohexyl)peroxycyclohexane is CC1(OOC2(C)CCCCC2)CCCCC1.
What is the InChIKey of 1-methyl-1-(1-methylcyclohexyl)peroxycyclohexane?
The InChIKey is HGSMFMWMPFXUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-13(9-5-3-6-10-13)15-16-14(2)11-7-4-8-12-14/h3-12H2,1-2H3.
What are the key properties of 1-methyl-1-(1-methylcyclohexyl)peroxycyclohexane?
1-methyl-1-(1-methylcyclohexyl)peroxycyclohexane has a molecular weight of 226.36 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-(1-methylcyclohexyl)peroxycyclohexane is sourced from PubChem (CID 19090310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).