1,4-dimethylcyclohexane;1,4-dimethylcyclohexene;3,6-dimethylcyclohexene;ethane;1-methyl-4-(4-methylcyclohexyl)benzene;1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-[(4-methylcyclohexyl)methyl]benzene;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane

C104H206 — CID 165051133

IUPAC1,4-dimethylcyclohexane;1,4-dimethylcyclohexene;3,6-dimethylcyclohexene;ethane;1-methyl-4-(4-methylcyclohexyl)benzene;1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-[(4-methylcyclohexyl)methyl]benzene;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1=CCC(C)CC1.CC1C=CC(C)CC1.CC1CCC(C)CC1.CC1CCC(C2CCC(C)CC2)CC1.CC1CCC(CC2CCC(C)CC2)CC1.Cc1ccc(C2CCC(C)CC2)cc1.Cc1ccc(CC2CCC(C)CC2)cc1
InChIInChI=1S/C15H28.C15H22.C14H26.C14H20.C8H16.2C8H14.11C2H6/c2*1-12-3-7-14(8-4-12)11-15-9-5-13(2)6-10-15;2*1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14;3*1-7-3-5-8(2)6-4-7;11*1-2/h12-15H,3-11H2,1-2H3;3-4,7-8,13,15H,5-6,9-11H2,1-2H3;11-14H,3-10H2,1-2H3;3-4,7-8,12,14H,5-6,9-10H2,1-2H3;7-8H,3-6H2,1-2H3;3,8H,4-6H2,1-2H3;3,5,7-8H,4,6H2,1-2H3;11*1-2H3
InChIKeyPRGRIGFWBOOOHO-UHFFFAOYSA-N
MW1456.79 g/mol
LogP37.80
Rot. Bonds6

About 1,4-dimethylcyclohexane;1,4-dimethylcyclohexene;3,6-dimethylcyclohexene;ethane;1-methyl-4-(4-methylcyclohexyl)benzene;1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-[(4-methylcyclohexyl)methyl]benzene;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane

1,4-dimethylcyclohexane;1,4-dimethylcyclohexene;3,6-dimethylcyclohexene;ethane;1-methyl-4-(4-methylcyclohexyl)benzene;1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-[(4-methylcyclohexyl)methyl]benzene;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane (PubChem CID 165051133) has the molecular formula C104H206 and a molecular weight of 1456.79 g/mol. Its IUPAC name is 1,4-dimethylcyclohexane;1,4-dimethylcyclohexene;3,6-dimethylcyclohexene;ethane;1-methyl-4-(4-methylcyclohexyl)benzene;1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-[(4-methylcyclohexyl)methyl]benzene;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane.

Molecular Properties

Compound Name1,4-dimethylcyclohexane;1,4-dimethylcyclohexene;3,6-dimethylcyclohexene;ethane;1-methyl-4-(4-methylcyclohexyl)benzene;1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-[(4-methylcyclohexyl)methyl]benzene;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane
PubChem CID165051133
Molecular FormulaC104H206
Molecular Weight1456.79 g/mol
Exact Mass1455.61
IUPAC Name1,4-dimethylcyclohexane;1,4-dimethylcyclohexene;3,6-dimethylcyclohexene;ethane;1-methyl-4-(4-methylcyclohexyl)benzene;1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-[(4-methylcyclohexyl)methyl]benzene;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1=CCC(C)CC1.CC1C=CC(C)CC1.CC1CCC(C)CC1.CC1CCC(C2CCC(C)CC2)CC1.CC1CCC(CC2CCC(C)CC2)CC1.Cc1ccc(C2CCC(C)CC2)cc1.Cc1ccc(CC2CCC(C)CC2)cc1
InChIInChI=1S/C15H28.C15H22.C14H26.C14H20.C8H16.2C8H14.11C2H6/c2*1-12-3-7-14(8-4-12)11-15-9-5-13(2)6-10-15;2*1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14;3*1-7-3-5-8(2)6-4-7;11*1-2/h12-15H,3-11H2,1-2H3;3-4,7-8,13,15H,5-6,9-11H2,1-2H3;11-14H,3-10H2,1-2H3;3-4,7-8,12,14H,5-6,9-10H2,1-2H3;7-8H,3-6H2,1-2H3;3,8H,4-6H2,1-2H3;3,5,7-8H,4,6H2,1-2H3;11*1-2H3
InChIKeyPRGRIGFWBOOOHO-UHFFFAOYSA-N
XLogP37.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms104
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001456.79
LogP ≤ 537.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,4-dimethylcyclohexane;1,4-dimethylcyclohexene;3,6-dimethylcyclohexene;ethane;1-methyl-4-(4-methylcyclohexyl)benzene;1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-[(4-methylcyclohexyl)methyl]benzene;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane with MolForge

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Related Compounds

1-(cyclopropylmethyl)-4-(4-methylcyclohexyl)benzene
CID 163396253
1-methoxy-4-(4-methylcyclohexyl)benzene;1-methyl-4-(4-methylcyclohexyl)benzene;1-methyl-4-(4-methylcyclohexyl)cyclohexene;4-methyl-1-(4-methylcyclohexyl)cyclohexene
CID 167674656
1,4-dimethylcyclohexane;1,4-dimethylcyclohexene;3,6-dimethylcyclohexene;methane
CID 142414461
1-methyl-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]benzene
CID 20580006
fluoromethane;1-(4-methylcyclohexyl)-4-[4-[(4-methylcyclohexyl)methyl]phenyl]benzene
CID 90971028
1,4-dimethylcyclohexane;bis(1,4-dimethylcyclohexene);3,6-dimethylcyclohexene;bis(2,5-dimethyl-1,3-dioxane);bis(2,5-dimethyloxane);1-methyl-4-[(4-methylphenyl)methyl]benzene
CID 158990896
bis(1-methyl-4-(4-methylcyclohexyl)benzene);hexakis(1-methyl-4-(4-methylcyclohexyl)cyclohexane);bis(1-methyl-4-(4-methylphenyl)benzene)
CID 157498601
ethane;methane;1-methyl-4-[[4-[[4-(4-methylcyclohexyl)phenyl]methyl]phenyl]methyl]benzene
CID 158300950
1-methyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethyl]benzene
CID 20579999
1,4-bis[(4-methylcyclohexyl)methyl]benzene;ethane
CID 91321679
ethane;1-ethyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene
CID 144529338
1-(cyclopropylmethyl)-4-methylbenzene
CID 3282669

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylcyclohexane;1,4-dimethylcyclohexene;3,6-dimethylcyclohexene;ethane;1-methyl-4-(4-methylcyclohexyl)benzene;1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-[(4-methylcyclohexyl)methyl]benzene;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane?
The IUPAC name of 1,4-dimethylcyclohexane;1,4-dimethylcyclohexene;3,6-dimethylcyclohexene;ethane;1-methyl-4-(4-methylcyclohexyl)benzene;1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-[(4-methylcyclohexyl)methyl]benzene;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane (CID 165051133) is 1,4-dimethylcyclohexane;1,4-dimethylcyclohexene;3,6-dimethylcyclohexene;ethane;1-methyl-4-(4-methylcyclohexyl)benzene;1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-[(4-methylcyclohexyl)methyl]benzene;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane.
What is the SMILES notation for 1,4-dimethylcyclohexane;1,4-dimethylcyclohexene;3,6-dimethylcyclohexene;ethane;1-methyl-4-(4-methylcyclohexyl)benzene;1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-[(4-methylcyclohexyl)methyl]benzene;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane?
The canonical SMILES for 1,4-dimethylcyclohexane;1,4-dimethylcyclohexene;3,6-dimethylcyclohexene;ethane;1-methyl-4-(4-methylcyclohexyl)benzene;1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-[(4-methylcyclohexyl)methyl]benzene;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1=CCC(C)CC1.CC1C=CC(C)CC1.CC1CCC(C)CC1.CC1CCC(C2CCC(C)CC2)CC1.CC1CCC(CC2CCC(C)CC2)CC1.Cc1ccc(C2CCC(C)CC2)cc1.Cc1ccc(CC2CCC(C)CC2)cc1.
What is the InChIKey of 1,4-dimethylcyclohexane;1,4-dimethylcyclohexene;3,6-dimethylcyclohexene;ethane;1-methyl-4-(4-methylcyclohexyl)benzene;1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-[(4-methylcyclohexyl)methyl]benzene;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane?
The InChIKey is PRGRIGFWBOOOHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28.C15H22.C14H26.C14H20.C8H16.2C8H14.11C2H6/c2*1-12-3-7-14(8-4-12)11-15-9-5-13(2)6-10-15;2*1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14;3*1-7-3-5-8(2)6-4-7;11*1-2/h12-15H,3-11H2,1-2H3;3-4,7-8,13,15H,5-6,9-11H2,1-2H3;11-14H,3-10H2,1-2H3;3-4,7-8,12,14H,5-6,9-10H2,1-2H3;7-8H,3-6H2,1-2H3;3,8H,4-6H2,1-2H3;3,5,7-8H,4,6H2,1-2H3;11*1-2H3.
What are the key properties of 1,4-dimethylcyclohexane;1,4-dimethylcyclohexene;3,6-dimethylcyclohexene;ethane;1-methyl-4-(4-methylcyclohexyl)benzene;1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-[(4-methylcyclohexyl)methyl]benzene;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane?
1,4-dimethylcyclohexane;1,4-dimethylcyclohexene;3,6-dimethylcyclohexene;ethane;1-methyl-4-(4-methylcyclohexyl)benzene;1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-[(4-methylcyclohexyl)methyl]benzene;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane has a molecular weight of 1456.79 g/mol, XLogP of 37.80, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylcyclohexane;1,4-dimethylcyclohexene;3,6-dimethylcyclohexene;ethane;1-methyl-4-(4-methylcyclohexyl)benzene;1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-[(4-methylcyclohexyl)methyl]benzene;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane is sourced from PubChem (CID 165051133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).