1-methoxy-4-(4-methylcyclohexyl)benzene;1-methyl-4-(4-methylcyclohexyl)benzene;1-methyl-4-(4-methylcyclohexyl)cyclohexene;4-methyl-1-(4-methylcyclohexyl)cyclohexene

C56H88O — CID 167674656

IUPAC1-methoxy-4-(4-methylcyclohexyl)benzene;1-methyl-4-(4-methylcyclohexyl)benzene;1-methyl-4-(4-methylcyclohexyl)cyclohexene;4-methyl-1-(4-methylcyclohexyl)cyclohexene
SMILESCC1=CCC(C2CCC(C)CC2)CC1.CC1CC=C(C2CCC(C)CC2)CC1.COc1ccc(C2CCC(C)CC2)cc1.Cc1ccc(C2CCC(C)CC2)cc1
InChIInChI=1S/C14H20O.2C14H24.C14H20/c1-11-3-5-12(6-4-11)13-7-9-14(15-2)10-8-13;3*1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14/h7-12H,3-6H2,1-2H3;7,11-12,14H,3-6,8-10H2,1-2H3;3,12-14H,4-10H2,1-2H3;3-4,7-8,12,14H,5-6,9-10H2,1-2H3
InChIKeyUQDBVVYMBMKZPD-UHFFFAOYSA-N
MW777.32 g/mol
LogP17.40
Rot. Bonds5

About 1-methoxy-4-(4-methylcyclohexyl)benzene;1-methyl-4-(4-methylcyclohexyl)benzene;1-methyl-4-(4-methylcyclohexyl)cyclohexene;4-methyl-1-(4-methylcyclohexyl)cyclohexene

1-methoxy-4-(4-methylcyclohexyl)benzene;1-methyl-4-(4-methylcyclohexyl)benzene;1-methyl-4-(4-methylcyclohexyl)cyclohexene;4-methyl-1-(4-methylcyclohexyl)cyclohexene (PubChem CID 167674656) has the molecular formula C56H88O and a molecular weight of 777.32 g/mol. Its IUPAC name is 1-methoxy-4-(4-methylcyclohexyl)benzene;1-methyl-4-(4-methylcyclohexyl)benzene;1-methyl-4-(4-methylcyclohexyl)cyclohexene;4-methyl-1-(4-methylcyclohexyl)cyclohexene.

Molecular Properties

Compound Name1-methoxy-4-(4-methylcyclohexyl)benzene;1-methyl-4-(4-methylcyclohexyl)benzene;1-methyl-4-(4-methylcyclohexyl)cyclohexene;4-methyl-1-(4-methylcyclohexyl)cyclohexene
PubChem CID167674656
Molecular FormulaC56H88O
Molecular Weight777.32 g/mol
Exact Mass776.68
IUPAC Name1-methoxy-4-(4-methylcyclohexyl)benzene;1-methyl-4-(4-methylcyclohexyl)benzene;1-methyl-4-(4-methylcyclohexyl)cyclohexene;4-methyl-1-(4-methylcyclohexyl)cyclohexene
SMILESCC1=CCC(C2CCC(C)CC2)CC1.CC1CC=C(C2CCC(C)CC2)CC1.COc1ccc(C2CCC(C)CC2)cc1.Cc1ccc(C2CCC(C)CC2)cc1
InChIInChI=1S/C14H20O.2C14H24.C14H20/c1-11-3-5-12(6-4-11)13-7-9-14(15-2)10-8-13;3*1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14/h7-12H,3-6H2,1-2H3;7,11-12,14H,3-6,8-10H2,1-2H3;3,12-14H,4-10H2,1-2H3;3-4,7-8,12,14H,5-6,9-10H2,1-2H3
InChIKeyUQDBVVYMBMKZPD-UHFFFAOYSA-N
XLogP17.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500777.32
LogP ≤ 517.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-methoxy-4-(4-methylcyclohexyl)benzene;1-methyl-4-(4-methylcyclohexyl)benzene;1-methyl-4-(4-methylcyclohexyl)cyclohexene;4-methyl-1-(4-methylcyclohexyl)cyclohexene with MolForge

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Related Compounds

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
1-methyl-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]benzene
CID 20580006
1-methoxy-4-[2-(4-methylphenyl)ethynyl]benzene;1-methyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethynyl]benzene;1-methyl-4-[2-(4-methylphenyl)ethynyl]benzene
CID 159401504
1-methoxy-4-(4-methylcyclohexyl)benzene;hydrate
CID 144745908
bis(1-methyl-4-(4-methylcyclohexyl)benzene);hexakis(1-methyl-4-(4-methylcyclohexyl)cyclohexane);bis(1-methyl-4-(4-methylphenyl)benzene)
CID 157498601
tetrakis(1,4-bis(4-methylcyclohexyl)cyclohexane);pentakis(1-methyl-4-(4-methylcyclohexyl)cyclohexane);1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexene;molecular hydrogen;dodecahydrate
CID 161058057
1,4-dimethyl(113C)cyclohexene
CID 11018826
1-methoxy-4-(4-methylcyclohexen-1-yl)benzene
CID 3765590
1-methyl-4-(4-methylcyclohexyl)benzene;1-methyl-4-(4-methylcyclohexyl)cyclohexane;methyl 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene
CID 159746470
1-cyclohexyl-4-methylcyclohexane;methane;1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;yttrium
CID 158696039
1-(3-fluoro-4-methylcyclohexyl)-4-(4-methylcyclohexyl)cyclohexene
CID 177321446
1,4-dimethylcyclohexane;1,4-dimethylcyclohexene;3,6-dimethylcyclohexene;methane
CID 142414461

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-(4-methylcyclohexyl)benzene;1-methyl-4-(4-methylcyclohexyl)benzene;1-methyl-4-(4-methylcyclohexyl)cyclohexene;4-methyl-1-(4-methylcyclohexyl)cyclohexene?
The IUPAC name of 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) is 1-methoxy-4-(4-methylcyclohexyl)benzene;1-methyl-4-(4-methylcyclohexyl)benzene;1-methyl-4-(4-methylcyclohexyl)cyclohexene;4-methyl-1-(4-methylcyclohexyl)cyclohexene.
What is the SMILES notation for 1-methoxy-4-(4-methylcyclohexyl)benzene;1-methyl-4-(4-methylcyclohexyl)benzene;1-methyl-4-(4-methylcyclohexyl)cyclohexene;4-methyl-1-(4-methylcyclohexyl)cyclohexene?
The canonical SMILES for 1-methoxy-4-(4-methylcyclohexyl)benzene;1-methyl-4-(4-methylcyclohexyl)benzene;1-methyl-4-(4-methylcyclohexyl)cyclohexene;4-methyl-1-(4-methylcyclohexyl)cyclohexene is CC1=CCC(C2CCC(C)CC2)CC1.CC1CC=C(C2CCC(C)CC2)CC1.COc1ccc(C2CCC(C)CC2)cc1.Cc1ccc(C2CCC(C)CC2)cc1.
What is the InChIKey of 1-methoxy-4-(4-methylcyclohexyl)benzene;1-methyl-4-(4-methylcyclohexyl)benzene;1-methyl-4-(4-methylcyclohexyl)cyclohexene;4-methyl-1-(4-methylcyclohexyl)cyclohexene?
The InChIKey is UQDBVVYMBMKZPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O.2C14H24.C14H20/c1-11-3-5-12(6-4-11)13-7-9-14(15-2)10-8-13;3*1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14/h7-12H,3-6H2,1-2H3;7,11-12,14H,3-6,8-10H2,1-2H3;3,12-14H,4-10H2,1-2H3;3-4,7-8,12,14H,5-6,9-10H2,1-2H3.
What are the key properties of 1-methoxy-4-(4-methylcyclohexyl)benzene;1-methyl-4-(4-methylcyclohexyl)benzene;1-methyl-4-(4-methylcyclohexyl)cyclohexene;4-methyl-1-(4-methylcyclohexyl)cyclohexene?
1-methoxy-4-(4-methylcyclohexyl)benzene;1-methyl-4-(4-methylcyclohexyl)benzene;1-methyl-4-(4-methylcyclohexyl)cyclohexene;4-methyl-1-(4-methylcyclohexyl)cyclohexene has a molecular weight of 777.32 g/mol, XLogP of 17.40, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-(4-methylcyclohexyl)benzene;1-methyl-4-(4-methylcyclohexyl)benzene;1-methyl-4-(4-methylcyclohexyl)cyclohexene;4-methyl-1-(4-methylcyclohexyl)cyclohexene is sourced from PubChem (CID 167674656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).