1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-[2-(4-methylcyclohexyl)ethenyl]cyclohexane;bis(2-methyl-5-[2-(4-methylcyclohexyl)ethenyl]oxane);bis(5-methyl-2-[2-(4-methylcyclohexyl)ethenyl]oxane);bis(2-methyl-5-(4-methylcyclohexyl)oxane);bis(5-methyl-2-(4-methylcyclohexyl)oxane)

C142H254O8 — CID 162191451

IUPAC1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-[2-(4-methylcyclohexyl)ethenyl]cyclohexane;bis(2-methyl-5-[2-(4-methylcyclohexyl)ethenyl]oxane);bis(5-methyl-2-[2-(4-methylcyclohexyl)ethenyl]oxane);bis(2-methyl-5-(4-methylcyclohexyl)oxane);bis(5-methyl-2-(4-methylcyclohexyl)oxane)
SMILESCC1CCC(C2CCC(C)CC2)CC1.CC1CCC(C2CCC(C)CO2)CC1.CC1CCC(C2CCC(C)CO2)CC1.CC1CCC(C2CCC(C)OC2)CC1.CC1CCC(C2CCC(C)OC2)CC1.CC1CCC(C=CC2CCC(C)CC2)CC1.CC1CCC(C=CC2CCC(C)CO2)CC1.CC1CCC(C=CC2CCC(C)CO2)CC1.CC1CCC(C=CC2CCC(C)OC2)CC1.CC1CCC(C=CC2CCC(C)OC2)CC1
InChIInChI=1S/C16H28.4C15H26O.C14H26.4C13H24O/c1-13-3-7-15(8-4-13)11-12-16-9-5-14(2)6-10-16;2*1-12-3-6-14(7-4-12)8-10-15-9-5-13(2)11-16-15;2*1-12-3-6-14(7-4-12)9-10-15-8-5-13(2)16-11-15;1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14;2*1-10-3-6-12(7-4-10)13-8-5-11(2)14-9-13;2*1-10-3-6-12(7-4-10)13-8-5-11(2)9-14-13/h11-16H,3-10H2,1-2H3;2*8,10,12-15H,3-7,9,11H2,1-2H3;2*9-10,12-15H,3-8,11H2,1-2H3;11-14H,3-10H2,1-2H3;4*10-13H,3-9H2,1-2H3
InChIKeyZQIWRNLFIRRJJC-UHFFFAOYSA-N
MW2089.59 g/mol
LogP41.08
Rot. Bonds15

About 1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-[2-(4-methylcyclohexyl)ethenyl]cyclohexane;bis(2-methyl-5-[2-(4-methylcyclohexyl)ethenyl]oxane);bis(5-methyl-2-[2-(4-methylcyclohexyl)ethenyl]oxane);bis(2-methyl-5-(4-methylcyclohexyl)oxane);bis(5-methyl-2-(4-methylcyclohexyl)oxane)

1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-[2-(4-methylcyclohexyl)ethenyl]cyclohexane;bis(2-methyl-5-[2-(4-methylcyclohexyl)ethenyl]oxane);bis(5-methyl-2-[2-(4-methylcyclohexyl)ethenyl]oxane);bis(2-methyl-5-(4-methylcyclohexyl)oxane);bis(5-methyl-2-(4-methylcyclohexyl)oxane) (PubChem CID 162191451) has the molecular formula C142H254O8 and a molecular weight of 2089.59 g/mol. Its IUPAC name is 1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-[2-(4-methylcyclohexyl)ethenyl]cyclohexane;bis(2-methyl-5-[2-(4-methylcyclohexyl)ethenyl]oxane);bis(5-methyl-2-[2-(4-methylcyclohexyl)ethenyl]oxane);bis(2-methyl-5-(4-methylcyclohexyl)oxane);bis(5-methyl-2-(4-methylcyclohexyl)oxane).

Molecular Properties

Compound Name1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-[2-(4-methylcyclohexyl)ethenyl]cyclohexane;bis(2-methyl-5-[2-(4-methylcyclohexyl)ethenyl]oxane);bis(5-methyl-2-[2-(4-methylcyclohexyl)ethenyl]oxane);bis(2-methyl-5-(4-methylcyclohexyl)oxane);bis(5-methyl-2-(4-methylcyclohexyl)oxane)
PubChem CID162191451
Molecular FormulaC142H254O8
Molecular Weight2089.59 g/mol
Exact Mass2087.95
IUPAC Name1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-[2-(4-methylcyclohexyl)ethenyl]cyclohexane;bis(2-methyl-5-[2-(4-methylcyclohexyl)ethenyl]oxane);bis(5-methyl-2-[2-(4-methylcyclohexyl)ethenyl]oxane);bis(2-methyl-5-(4-methylcyclohexyl)oxane);bis(5-methyl-2-(4-methylcyclohexyl)oxane)
SMILESCC1CCC(C2CCC(C)CC2)CC1.CC1CCC(C2CCC(C)CO2)CC1.CC1CCC(C2CCC(C)CO2)CC1.CC1CCC(C2CCC(C)OC2)CC1.CC1CCC(C2CCC(C)OC2)CC1.CC1CCC(C=CC2CCC(C)CC2)CC1.CC1CCC(C=CC2CCC(C)CO2)CC1.CC1CCC(C=CC2CCC(C)CO2)CC1.CC1CCC(C=CC2CCC(C)OC2)CC1.CC1CCC(C=CC2CCC(C)OC2)CC1
InChIInChI=1S/C16H28.4C15H26O.C14H26.4C13H24O/c1-13-3-7-15(8-4-13)11-12-16-9-5-14(2)6-10-16;2*1-12-3-6-14(7-4-12)8-10-15-9-5-13(2)11-16-15;2*1-12-3-6-14(7-4-12)9-10-15-8-5-13(2)16-11-15;1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14;2*1-10-3-6-12(7-4-10)13-8-5-11(2)14-9-13;2*1-10-3-6-12(7-4-10)13-8-5-11(2)9-14-13/h11-16H,3-10H2,1-2H3;2*8,10,12-15H,3-7,9,11H2,1-2H3;2*9-10,12-15H,3-8,11H2,1-2H3;11-14H,3-10H2,1-2H3;4*10-13H,3-9H2,1-2H3
InChIKeyZQIWRNLFIRRJJC-UHFFFAOYSA-N
XLogP41.08
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms150
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002089.59
LogP ≤ 541.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-[2-(4-methylcyclohexyl)ethenyl]cyclohexane;bis(2-methyl-5-[2-(4-methylcyclohexyl)ethenyl]oxane);bis(5-methyl-2-[2-(4-methylcyclohexyl)ethenyl]oxane);bis(2-methyl-5-(4-methylcyclohexyl)oxane);bis(5-methyl-2-(4-methylcyclohexyl)oxane) with MolForge

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Related Compounds

5-(oxiran-2-yl)-2-[(E)-2-[4-(4-propylcyclohexyl)cyclohexyl]ethenyl]oxane
CID 89008539
2-(4-methylcyclohexyl)-5-[(E)-2-(4-methylcyclohexyl)ethenyl]-1,3-dioxane
CID 54078523
2-ethenyl-5-(4-methylcyclohexyl)oxane
CID 143210182
5-(4-ethenylcyclohexyl)-2-[2-(4-propylcyclohexyl)ethenyl]oxane
CID 76840318
5-[2-(4-ethylcyclohexyl)ethenyl]-2-(4-propylcyclohexyl)oxane
CID 76840358
(2S)-2-(4-methylcyclohexyl)oxirane
CID 146186873
[4-[5-[(E)-2-(4-propylcyclohexyl)ethenyl]oxan-2-yl]cyclohexyl]methanol
CID 70829400
2-[2-(4-ethenylcyclohexyl)ethenyl]-5-(4-pentylcyclohexyl)oxane
CID 76840289
2-ethenyl-5-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethenyl]oxane
CID 76840317
5-(2,2-difluoroethenyl)-2-[4-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]cyclohexyl]oxane
CID 20599869
tris(1,4-dimethylcyclohexane);2,5-dimethyl-1,3-dioxane;2,5-dimethyloxane;methane
CID 158777415
tris(1,4-dimethylcyclohexane);bis(2,5-dimethyl-1,3-dioxane);bis(2,5-dimethyloxane);methane
CID 162214412

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-[2-(4-methylcyclohexyl)ethenyl]cyclohexane;bis(2-methyl-5-[2-(4-methylcyclohexyl)ethenyl]oxane);bis(5-methyl-2-[2-(4-methylcyclohexyl)ethenyl]oxane);bis(2-methyl-5-(4-methylcyclohexyl)oxane);bis(5-methyl-2-(4-methylcyclohexyl)oxane)?
The IUPAC name of 1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-[2-(4-methylcyclohexyl)ethenyl]cyclohexane;bis(2-methyl-5-[2-(4-methylcyclohexyl)ethenyl]oxane);bis(5-methyl-2-[2-(4-methylcyclohexyl)ethenyl]oxane);bis(2-methyl-5-(4-methylcyclohexyl)oxane);bis(5-methyl-2-(4-methylcyclohexyl)oxane) (CID 162191451) is 1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-[2-(4-methylcyclohexyl)ethenyl]cyclohexane;bis(2-methyl-5-[2-(4-methylcyclohexyl)ethenyl]oxane);bis(5-methyl-2-[2-(4-methylcyclohexyl)ethenyl]oxane);bis(2-methyl-5-(4-methylcyclohexyl)oxane);bis(5-methyl-2-(4-methylcyclohexyl)oxane).
What is the SMILES notation for 1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-[2-(4-methylcyclohexyl)ethenyl]cyclohexane;bis(2-methyl-5-[2-(4-methylcyclohexyl)ethenyl]oxane);bis(5-methyl-2-[2-(4-methylcyclohexyl)ethenyl]oxane);bis(2-methyl-5-(4-methylcyclohexyl)oxane);bis(5-methyl-2-(4-methylcyclohexyl)oxane)?
The canonical SMILES for 1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-[2-(4-methylcyclohexyl)ethenyl]cyclohexane;bis(2-methyl-5-[2-(4-methylcyclohexyl)ethenyl]oxane);bis(5-methyl-2-[2-(4-methylcyclohexyl)ethenyl]oxane);bis(2-methyl-5-(4-methylcyclohexyl)oxane);bis(5-methyl-2-(4-methylcyclohexyl)oxane) is CC1CCC(C2CCC(C)CC2)CC1.CC1CCC(C2CCC(C)CO2)CC1.CC1CCC(C2CCC(C)CO2)CC1.CC1CCC(C2CCC(C)OC2)CC1.CC1CCC(C2CCC(C)OC2)CC1.CC1CCC(C=CC2CCC(C)CC2)CC1.CC1CCC(C=CC2CCC(C)CO2)CC1.CC1CCC(C=CC2CCC(C)CO2)CC1.CC1CCC(C=CC2CCC(C)OC2)CC1.CC1CCC(C=CC2CCC(C)OC2)CC1.
What is the InChIKey of 1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-[2-(4-methylcyclohexyl)ethenyl]cyclohexane;bis(2-methyl-5-[2-(4-methylcyclohexyl)ethenyl]oxane);bis(5-methyl-2-[2-(4-methylcyclohexyl)ethenyl]oxane);bis(2-methyl-5-(4-methylcyclohexyl)oxane);bis(5-methyl-2-(4-methylcyclohexyl)oxane)?
The InChIKey is ZQIWRNLFIRRJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28.4C15H26O.C14H26.4C13H24O/c1-13-3-7-15(8-4-13)11-12-16-9-5-14(2)6-10-16;2*1-12-3-6-14(7-4-12)8-10-15-9-5-13(2)11-16-15;2*1-12-3-6-14(7-4-12)9-10-15-8-5-13(2)16-11-15;1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14;2*1-10-3-6-12(7-4-10)13-8-5-11(2)14-9-13;2*1-10-3-6-12(7-4-10)13-8-5-11(2)9-14-13/h11-16H,3-10H2,1-2H3;2*8,10,12-15H,3-7,9,11H2,1-2H3;2*9-10,12-15H,3-8,11H2,1-2H3;11-14H,3-10H2,1-2H3;4*10-13H,3-9H2,1-2H3.
What are the key properties of 1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-[2-(4-methylcyclohexyl)ethenyl]cyclohexane;bis(2-methyl-5-[2-(4-methylcyclohexyl)ethenyl]oxane);bis(5-methyl-2-[2-(4-methylcyclohexyl)ethenyl]oxane);bis(2-methyl-5-(4-methylcyclohexyl)oxane);bis(5-methyl-2-(4-methylcyclohexyl)oxane)?
1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-[2-(4-methylcyclohexyl)ethenyl]cyclohexane;bis(2-methyl-5-[2-(4-methylcyclohexyl)ethenyl]oxane);bis(5-methyl-2-[2-(4-methylcyclohexyl)ethenyl]oxane);bis(2-methyl-5-(4-methylcyclohexyl)oxane);bis(5-methyl-2-(4-methylcyclohexyl)oxane) has a molecular weight of 2089.59 g/mol, XLogP of 41.08, 15 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-[2-(4-methylcyclohexyl)ethenyl]cyclohexane;bis(2-methyl-5-[2-(4-methylcyclohexyl)ethenyl]oxane);bis(5-methyl-2-[2-(4-methylcyclohexyl)ethenyl]oxane);bis(2-methyl-5-(4-methylcyclohexyl)oxane);bis(5-methyl-2-(4-methylcyclohexyl)oxane) is sourced from PubChem (CID 162191451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).