4-cyclohexyl-1,2-dimethylbenzene;5-cyclohexyl-1,2,3-trimethylbenzene;4-cyclopentyl-1,2-dimethylbenzene;5-cyclopentyl-1,2,3-trimethylbenzene;2-(3,4-dimethylphenyl)adamantane;2-(3,4-dimethylphenyl)bicyclo[2.2.1]heptane;1-(4-methylphenyl)bicyclo[2.2.1]heptane

C103H142 — CID 158993730

IUPAC4-cyclohexyl-1,2-dimethylbenzene;5-cyclohexyl-1,2,3-trimethylbenzene;4-cyclopentyl-1,2-dimethylbenzene;5-cyclopentyl-1,2,3-trimethylbenzene;2-(3,4-dimethylphenyl)adamantane;2-(3,4-dimethylphenyl)bicyclo[2.2.1]heptane;1-(4-methylphenyl)bicyclo[2.2.1]heptane
SMILESCc1cc(C2CCCC2)cc(C)c1C.Cc1cc(C2CCCCC2)cc(C)c1C.Cc1ccc(C23CCC(CC2)C3)cc1.Cc1ccc(C2C3CC4CC(C3)CC2C4)cc1C.Cc1ccc(C2CC3CCC2C3)cc1C.Cc1ccc(C2CCCC2)cc1C.Cc1ccc(C2CCCCC2)cc1C
InChIInChI=1S/C18H24.C15H20.C15H22.C14H18.2C14H20.C13H18/c1-11-3-4-15(5-12(11)2)18-16-7-13-6-14(9-16)10-17(18)8-13;1-10-3-5-13(7-11(10)2)15-9-12-4-6-14(15)8-12;1-11-9-15(10-12(2)13(11)3)14-7-5-4-6-8-14;1-11-2-4-13(5-3-11)14-8-6-12(10-14)7-9-14;1-10-8-14(9-11(2)12(10)3)13-6-4-5-7-13;1-11-8-9-14(10-12(11)2)13-6-4-3-5-7-13;1-10-7-8-13(9-11(10)2)12-5-3-4-6-12/h3-5,13-14,16-18H,6-10H2,1-2H3;3,5,7,12,14-15H,4,6,8-9H2,1-2H3;9-10,14H,4-8H2,1-3H3;2-5,12H,6-10H2,1H3;8-9,13H,4-7H2,1-3H3;8-10,13H,3-7H2,1-2H3;7-9,12H,3-6H2,1-2H3
InChIKeyJQMFUJPMRDSLGC-UHFFFAOYSA-N
MW1380.27 g/mol
LogP30.12
Rot. Bonds7

About 4-cyclohexyl-1,2-dimethylbenzene;5-cyclohexyl-1,2,3-trimethylbenzene;4-cyclopentyl-1,2-dimethylbenzene;5-cyclopentyl-1,2,3-trimethylbenzene;2-(3,4-dimethylphenyl)adamantane;2-(3,4-dimethylphenyl)bicyclo[2.2.1]heptane;1-(4-methylphenyl)bicyclo[2.2.1]heptane

4-cyclohexyl-1,2-dimethylbenzene;5-cyclohexyl-1,2,3-trimethylbenzene;4-cyclopentyl-1,2-dimethylbenzene;5-cyclopentyl-1,2,3-trimethylbenzene;2-(3,4-dimethylphenyl)adamantane;2-(3,4-dimethylphenyl)bicyclo[2.2.1]heptane;1-(4-methylphenyl)bicyclo[2.2.1]heptane (PubChem CID 158993730) has the molecular formula C103H142 and a molecular weight of 1380.27 g/mol. Its IUPAC name is 4-cyclohexyl-1,2-dimethylbenzene;5-cyclohexyl-1,2,3-trimethylbenzene;4-cyclopentyl-1,2-dimethylbenzene;5-cyclopentyl-1,2,3-trimethylbenzene;2-(3,4-dimethylphenyl)adamantane;2-(3,4-dimethylphenyl)bicyclo[2.2.1]heptane;1-(4-methylphenyl)bicyclo[2.2.1]heptane.

Molecular Properties

Compound Name4-cyclohexyl-1,2-dimethylbenzene;5-cyclohexyl-1,2,3-trimethylbenzene;4-cyclopentyl-1,2-dimethylbenzene;5-cyclopentyl-1,2,3-trimethylbenzene;2-(3,4-dimethylphenyl)adamantane;2-(3,4-dimethylphenyl)bicyclo[2.2.1]heptane;1-(4-methylphenyl)bicyclo[2.2.1]heptane
PubChem CID158993730
Molecular FormulaC103H142
Molecular Weight1380.27 g/mol
Exact Mass1379.11
IUPAC Name4-cyclohexyl-1,2-dimethylbenzene;5-cyclohexyl-1,2,3-trimethylbenzene;4-cyclopentyl-1,2-dimethylbenzene;5-cyclopentyl-1,2,3-trimethylbenzene;2-(3,4-dimethylphenyl)adamantane;2-(3,4-dimethylphenyl)bicyclo[2.2.1]heptane;1-(4-methylphenyl)bicyclo[2.2.1]heptane
SMILESCc1cc(C2CCCC2)cc(C)c1C.Cc1cc(C2CCCCC2)cc(C)c1C.Cc1ccc(C23CCC(CC2)C3)cc1.Cc1ccc(C2C3CC4CC(C3)CC2C4)cc1C.Cc1ccc(C2CC3CCC2C3)cc1C.Cc1ccc(C2CCCC2)cc1C.Cc1ccc(C2CCCCC2)cc1C
InChIInChI=1S/C18H24.C15H20.C15H22.C14H18.2C14H20.C13H18/c1-11-3-4-15(5-12(11)2)18-16-7-13-6-14(9-16)10-17(18)8-13;1-10-3-5-13(7-11(10)2)15-9-12-4-6-14(15)8-12;1-11-9-15(10-12(2)13(11)3)14-7-5-4-6-8-14;1-11-2-4-13(5-3-11)14-8-6-12(10-14)7-9-14;1-10-8-14(9-11(2)12(10)3)13-6-4-5-7-13;1-11-8-9-14(10-12(11)2)13-6-4-3-5-7-13;1-10-7-8-13(9-11(10)2)12-5-3-4-6-12/h3-5,13-14,16-18H,6-10H2,1-2H3;3,5,7,12,14-15H,4,6,8-9H2,1-2H3;9-10,14H,4-8H2,1-3H3;2-5,12H,6-10H2,1H3;8-9,13H,4-7H2,1-3H3;8-10,13H,3-7H2,1-2H3;7-9,12H,3-6H2,1-2H3
InChIKeyJQMFUJPMRDSLGC-UHFFFAOYSA-N
XLogP30.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms103
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001380.27
LogP ≤ 530.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 4-cyclohexyl-1,2-dimethylbenzene;5-cyclohexyl-1,2,3-trimethylbenzene;4-cyclopentyl-1,2-dimethylbenzene;5-cyclopentyl-1,2,3-trimethylbenzene;2-(3,4-dimethylphenyl)adamantane;2-(3,4-dimethylphenyl)bicyclo[2.2.1]heptane;1-(4-methylphenyl)bicyclo[2.2.1]heptane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-1,2-dimethylbenzene;5-cyclohexyl-1,2,3-trimethylbenzene;4-cyclopentyl-1,2-dimethylbenzene;5-cyclopentyl-1,2,3-trimethylbenzene;2-(3,4-dimethylphenyl)adamantane;2-(3,4-dimethylphenyl)bicyclo[2.2.1]heptane;1-(4-methylphenyl)bicyclo[2.2.1]heptane?
The IUPAC name of 4-cyclohexyl-1,2-dimethylbenzene;5-cyclohexyl-1,2,3-trimethylbenzene;4-cyclopentyl-1,2-dimethylbenzene;5-cyclopentyl-1,2,3-trimethylbenzene;2-(3,4-dimethylphenyl)adamantane;2-(3,4-dimethylphenyl)bicyclo[2.2.1]heptane;1-(4-methylphenyl)bicyclo[2.2.1]heptane (CID 158993730) is 4-cyclohexyl-1,2-dimethylbenzene;5-cyclohexyl-1,2,3-trimethylbenzene;4-cyclopentyl-1,2-dimethylbenzene;5-cyclopentyl-1,2,3-trimethylbenzene;2-(3,4-dimethylphenyl)adamantane;2-(3,4-dimethylphenyl)bicyclo[2.2.1]heptane;1-(4-methylphenyl)bicyclo[2.2.1]heptane.
What is the SMILES notation for 4-cyclohexyl-1,2-dimethylbenzene;5-cyclohexyl-1,2,3-trimethylbenzene;4-cyclopentyl-1,2-dimethylbenzene;5-cyclopentyl-1,2,3-trimethylbenzene;2-(3,4-dimethylphenyl)adamantane;2-(3,4-dimethylphenyl)bicyclo[2.2.1]heptane;1-(4-methylphenyl)bicyclo[2.2.1]heptane?
The canonical SMILES for 4-cyclohexyl-1,2-dimethylbenzene;5-cyclohexyl-1,2,3-trimethylbenzene;4-cyclopentyl-1,2-dimethylbenzene;5-cyclopentyl-1,2,3-trimethylbenzene;2-(3,4-dimethylphenyl)adamantane;2-(3,4-dimethylphenyl)bicyclo[2.2.1]heptane;1-(4-methylphenyl)bicyclo[2.2.1]heptane is Cc1cc(C2CCCC2)cc(C)c1C.Cc1cc(C2CCCCC2)cc(C)c1C.Cc1ccc(C23CCC(CC2)C3)cc1.Cc1ccc(C2C3CC4CC(C3)CC2C4)cc1C.Cc1ccc(C2CC3CCC2C3)cc1C.Cc1ccc(C2CCCC2)cc1C.Cc1ccc(C2CCCCC2)cc1C.
What is the InChIKey of 4-cyclohexyl-1,2-dimethylbenzene;5-cyclohexyl-1,2,3-trimethylbenzene;4-cyclopentyl-1,2-dimethylbenzene;5-cyclopentyl-1,2,3-trimethylbenzene;2-(3,4-dimethylphenyl)adamantane;2-(3,4-dimethylphenyl)bicyclo[2.2.1]heptane;1-(4-methylphenyl)bicyclo[2.2.1]heptane?
The InChIKey is JQMFUJPMRDSLGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24.C15H20.C15H22.C14H18.2C14H20.C13H18/c1-11-3-4-15(5-12(11)2)18-16-7-13-6-14(9-16)10-17(18)8-13;1-10-3-5-13(7-11(10)2)15-9-12-4-6-14(15)8-12;1-11-9-15(10-12(2)13(11)3)14-7-5-4-6-8-14;1-11-2-4-13(5-3-11)14-8-6-12(10-14)7-9-14;1-10-8-14(9-11(2)12(10)3)13-6-4-5-7-13;1-11-8-9-14(10-12(11)2)13-6-4-3-5-7-13;1-10-7-8-13(9-11(10)2)12-5-3-4-6-12/h3-5,13-14,16-18H,6-10H2,1-2H3;3,5,7,12,14-15H,4,6,8-9H2,1-2H3;9-10,14H,4-8H2,1-3H3;2-5,12H,6-10H2,1H3;8-9,13H,4-7H2,1-3H3;8-10,13H,3-7H2,1-2H3;7-9,12H,3-6H2,1-2H3.
What are the key properties of 4-cyclohexyl-1,2-dimethylbenzene;5-cyclohexyl-1,2,3-trimethylbenzene;4-cyclopentyl-1,2-dimethylbenzene;5-cyclopentyl-1,2,3-trimethylbenzene;2-(3,4-dimethylphenyl)adamantane;2-(3,4-dimethylphenyl)bicyclo[2.2.1]heptane;1-(4-methylphenyl)bicyclo[2.2.1]heptane?
4-cyclohexyl-1,2-dimethylbenzene;5-cyclohexyl-1,2,3-trimethylbenzene;4-cyclopentyl-1,2-dimethylbenzene;5-cyclopentyl-1,2,3-trimethylbenzene;2-(3,4-dimethylphenyl)adamantane;2-(3,4-dimethylphenyl)bicyclo[2.2.1]heptane;1-(4-methylphenyl)bicyclo[2.2.1]heptane has a molecular weight of 1380.27 g/mol, XLogP of 30.12, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-1,2-dimethylbenzene;5-cyclohexyl-1,2,3-trimethylbenzene;4-cyclopentyl-1,2-dimethylbenzene;5-cyclopentyl-1,2,3-trimethylbenzene;2-(3,4-dimethylphenyl)adamantane;2-(3,4-dimethylphenyl)bicyclo[2.2.1]heptane;1-(4-methylphenyl)bicyclo[2.2.1]heptane is sourced from PubChem (CID 158993730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).