1-(1-hydroperoxyethyl)-4-(4-methylcyclohexyl)cyclohexane

C15H28O2 — CID 20708983

IUPAC1-(1-hydroperoxyethyl)-4-(4-methylcyclohexyl)cyclohexane
SMILESCC1CCC(C2CCC(C(C)OO)CC2)CC1
InChIInChI=1S/C15H28O2/c1-11-3-5-14(6-4-11)15-9-7-13(8-10-15)12(2)17-16/h11-16H,3-10H2,1-2H3
InChIKeySTIGJQXUORTNFC-UHFFFAOYSA-N
MW240.39 g/mol
LogP4.50
Rot. Bonds3

About 1-(1-hydroperoxyethyl)-4-(4-methylcyclohexyl)cyclohexane

1-(1-hydroperoxyethyl)-4-(4-methylcyclohexyl)cyclohexane (PubChem CID 20708983) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-(1-hydroperoxyethyl)-4-(4-methylcyclohexyl)cyclohexane.

Molecular Properties

Compound Name1-(1-hydroperoxyethyl)-4-(4-methylcyclohexyl)cyclohexane
PubChem CID20708983
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name1-(1-hydroperoxyethyl)-4-(4-methylcyclohexyl)cyclohexane
SMILESCC1CCC(C2CCC(C(C)OO)CC2)CC1
InChIInChI=1S/C15H28O2/c1-11-3-5-14(6-4-11)15-9-7-13(8-10-15)12(2)17-16/h11-16H,3-10H2,1-2H3
InChIKeySTIGJQXUORTNFC-UHFFFAOYSA-N
XLogP4.50
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 54.50
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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Related Compounds

1-[hydroperoxy-[4-(4-methylcyclohexyl)cyclohexyl]methyl]-4-(4-methylcyclohexyl)cyclohexane
CID 54518923
1-(1-hydroperoxyethyl)-3-methylcyclobutane
CID 88563840
1-methyl-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexane;hydrate
CID 169431622
1-methyl-4-[3-(4-methylcyclohexyl)butan-2-yl]cyclohexane
CID 123821196
methane;1-methyl-4-propan-2-ylcyclohexane
CID 178082994
1-[4-(4-methylcyclohexyl)cyclohexyl]oxypropan-2-ol;1-methyl-4-[4-(2-methylpropoxy)cyclohexyl]cyclohexane
CID 54211881
2-(4-methylcyclohexyl)-5-[3-methyl-4-(4-methylcyclohexyl)pentan-2-yl]-1,2,3,3a,4,5,6,6a-octahydropentalene
CID 163912333
1-(3-methylcyclopentyl)ethanol
CID 12501270
2-hydroperoxy-7-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 172615307
1-methyl-3-propan-2-ylcyclopentane;3-propan-2-ylcyclobutan-1-ol
CID 158535526
(2R)-2-(4-methylcyclohexyl)propanoic acid
CID 96631531
2-(4-methylcyclohexyl)-4-propan-2-ylcyclohexan-1-ol
CID 79423201

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroperoxyethyl)-4-(4-methylcyclohexyl)cyclohexane?
The IUPAC name of 1-(1-hydroperoxyethyl)-4-(4-methylcyclohexyl)cyclohexane (CID 20708983) is 1-(1-hydroperoxyethyl)-4-(4-methylcyclohexyl)cyclohexane.
What is the SMILES notation for 1-(1-hydroperoxyethyl)-4-(4-methylcyclohexyl)cyclohexane?
The canonical SMILES for 1-(1-hydroperoxyethyl)-4-(4-methylcyclohexyl)cyclohexane is CC1CCC(C2CCC(C(C)OO)CC2)CC1.
What is the InChIKey of 1-(1-hydroperoxyethyl)-4-(4-methylcyclohexyl)cyclohexane?
The InChIKey is STIGJQXUORTNFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2/c1-11-3-5-14(6-4-11)15-9-7-13(8-10-15)12(2)17-16/h11-16H,3-10H2,1-2H3.
What are the key properties of 1-(1-hydroperoxyethyl)-4-(4-methylcyclohexyl)cyclohexane?
1-(1-hydroperoxyethyl)-4-(4-methylcyclohexyl)cyclohexane has a molecular weight of 240.39 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroperoxyethyl)-4-(4-methylcyclohexyl)cyclohexane is sourced from PubChem (CID 20708983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).