1,6-dimethylnaphthalene;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane;1-methyl-4-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexane;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene

C76H108 — CID 158146613

IUPAC1,6-dimethylnaphthalene;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane;1-methyl-4-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexane;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene
SMILESCC1CCC(C(C)(C)C2CCC(C)CC2)CC1.CC1CCC(CC2CCC(C)CC2)CC1.Cc1ccc(C(C)(C)c2ccc(C)cc2)cc1.Cc1ccc(Cc2ccc(C)cc2)cc1.Cc1ccc2c(C)cccc2c1
InChIInChI=1S/C17H32.C17H20.C15H28.C15H16.C12H12/c2*1-13-5-9-15(10-6-13)17(3,4)16-11-7-14(2)8-12-16;2*1-12-3-7-14(8-4-12)11-15-9-5-13(2)6-10-15;1-9-6-7-12-10(2)4-3-5-11(12)8-9/h13-16H,5-12H2,1-4H3;5-12H,1-4H3;12-15H,3-11H2,1-2H3;3-10H,11H2,1-2H3;3-8H,1-2H3
InChIKeyFUPCBBOYWZHCCS-UHFFFAOYSA-N
MW1021.70 g/mol
LogP22.67
Rot. Bonds8

About 1,6-dimethylnaphthalene;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane;1-methyl-4-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexane;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene

1,6-dimethylnaphthalene;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane;1-methyl-4-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexane;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene (PubChem CID 158146613) has the molecular formula C76H108 and a molecular weight of 1021.70 g/mol. Its IUPAC name is 1,6-dimethylnaphthalene;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane;1-methyl-4-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexane;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene.

Molecular Properties

Compound Name1,6-dimethylnaphthalene;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane;1-methyl-4-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexane;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene
PubChem CID158146613
Molecular FormulaC76H108
Molecular Weight1021.70 g/mol
Exact Mass1020.85
IUPAC Name1,6-dimethylnaphthalene;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane;1-methyl-4-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexane;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene
SMILESCC1CCC(C(C)(C)C2CCC(C)CC2)CC1.CC1CCC(CC2CCC(C)CC2)CC1.Cc1ccc(C(C)(C)c2ccc(C)cc2)cc1.Cc1ccc(Cc2ccc(C)cc2)cc1.Cc1ccc2c(C)cccc2c1
InChIInChI=1S/C17H32.C17H20.C15H28.C15H16.C12H12/c2*1-13-5-9-15(10-6-13)17(3,4)16-11-7-14(2)8-12-16;2*1-12-3-7-14(8-4-12)11-15-9-5-13(2)6-10-15;1-9-6-7-12-10(2)4-3-5-11(12)8-9/h13-16H,5-12H2,1-4H3;5-12H,1-4H3;12-15H,3-11H2,1-2H3;3-10H,11H2,1-2H3;3-8H,1-2H3
InChIKeyFUPCBBOYWZHCCS-UHFFFAOYSA-N
XLogP22.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001021.70
LogP ≤ 522.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,6-dimethylnaphthalene;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane;1-methyl-4-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexane;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene with MolForge

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Related Compounds

1,4-bis(4-methylphenyl)benzene;1,5-dimethylnaphthalene;1,6-dimethylnaphthalene;1-methyl-3-(3-methylphenyl)benzene;1-methyl-3-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)benzene;1-methyl-3-[(3-methylphenyl)methyl]benzene;1-methyl-3-[(4-methylphenyl)methyl]benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene
CID 158604193
2,4-dimethyl-1-[(4-methylphenyl)methyl]benzene;1-ethyl-1,3,3,5-tetramethylcyclohexane;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane;1-methyl-4-[(4-methylphenyl)methyl]benzene;1,2,3-trimethylbenzene;1,2,4-trimethylbenzene
CID 161411328
ethane;1-ethyl-1,3,3,5-tetramethylcyclohexane;1-methyl-4-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexane;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;molecular hydrogen;toluene;1,2,4-trimethylbenzene;3,3,5-trimethyloctane
CID 160669629
1,4-bis(2,3,3-trimethylbutan-2-yl)benzene;1-tert-butyl-4-[(4-tert-butylcyclohexyl)methyl]cyclohexane;1-tert-butyl-4-[(4-tert-butylphenyl)methyl]benzene
CID 159661376
6-tert-butyl-1-methylnaphthalene
CID 3019609
1-[[4-[[4-[(4-ethylcyclohexyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]-4-methylbenzene;1-[[4-[(4-ethylcyclohexyl)methyl]cyclohexyl]methyl]-4-[(4-methylcyclohexyl)methyl]benzene;bis(1-[(4-ethylcyclohexyl)methyl]-4-[[4-[(4-ethylcyclohexyl)methyl]cyclohexyl]methyl]benzene);1-[(4-ethylcyclohexyl)methyl]-4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]benzene;bis(1-ethyl-4-[[4-[[4-[(4-ethylcyclohexyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]benzene);1-ethyl-4-[[4-[[4-[(4-ethylcyclohexyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]cyclohexane;1-ethyl-4-[[4-[[4-[(4-ethylcyclohexyl)methyl]cyclohexyl]methyl]phenyl]methyl]benzene;1-ethyl-4-[[4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]benzene;1-ethyl-4-[[4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]phenyl]methyl]benzene
CID 161249358
1-[2,2-difluoro-2-(4-methylcyclohexyl)ethyl]-4-methylbenzene
CID 139603706
1,4-diethylcyclohexane;dipropyl cyclohexane-1,4-dicarboxylate;1-methyl-4-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexane;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene
CID 158366350
1-methyl-6-(7-methylnaphthalen-2-yl)naphthalene
CID 143742447
1,6-dimethyl-4-[(4-methylcyclohexyl)methyl]naphthalene
CID 123270650
1-[1,1-bis(4-methylphenyl)ethyl]-4-[2-(4-methylphenyl)propan-2-yl]benzene;ethane;bis(1-methylnaphthalene);1-(naphthalen-1-ylmethyl)naphthalene;propane;toluene
CID 158508625
1,3-dimethylnaphthalene;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;1,6-dimethylnaphthalene;1,7-dimethylnaphthalene;1,3-xylene;1,4-xylene
CID 162002559

Frequently Asked Questions

What is the IUPAC name of 1,6-dimethylnaphthalene;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane;1-methyl-4-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexane;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene?
The IUPAC name of 1,6-dimethylnaphthalene;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane;1-methyl-4-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexane;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene (CID 158146613) is 1,6-dimethylnaphthalene;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane;1-methyl-4-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexane;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene.
What is the SMILES notation for 1,6-dimethylnaphthalene;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane;1-methyl-4-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexane;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene?
The canonical SMILES for 1,6-dimethylnaphthalene;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane;1-methyl-4-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexane;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene is CC1CCC(C(C)(C)C2CCC(C)CC2)CC1.CC1CCC(CC2CCC(C)CC2)CC1.Cc1ccc(C(C)(C)c2ccc(C)cc2)cc1.Cc1ccc(Cc2ccc(C)cc2)cc1.Cc1ccc2c(C)cccc2c1.
What is the InChIKey of 1,6-dimethylnaphthalene;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane;1-methyl-4-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexane;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene?
The InChIKey is FUPCBBOYWZHCCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32.C17H20.C15H28.C15H16.C12H12/c2*1-13-5-9-15(10-6-13)17(3,4)16-11-7-14(2)8-12-16;2*1-12-3-7-14(8-4-12)11-15-9-5-13(2)6-10-15;1-9-6-7-12-10(2)4-3-5-11(12)8-9/h13-16H,5-12H2,1-4H3;5-12H,1-4H3;12-15H,3-11H2,1-2H3;3-10H,11H2,1-2H3;3-8H,1-2H3.
What are the key properties of 1,6-dimethylnaphthalene;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane;1-methyl-4-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexane;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene?
1,6-dimethylnaphthalene;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane;1-methyl-4-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexane;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene has a molecular weight of 1021.70 g/mol, XLogP of 22.67, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethylnaphthalene;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane;1-methyl-4-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexane;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene is sourced from PubChem (CID 158146613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).