trans-(2R,4R)-1,2-dimethyl-4-(4-methylcyclohexyl)cyclohexane

C15H28 — CID 59970721

IUPACtrans-(2R,4R)-1,2-dimethyl-4-(4-methylcyclohexyl)cyclohexane
SMILESCC1CCC([C@@H]2CCC(C)[C@H](C)C2)CC1
InChIInChI=1S/C15H28/c1-11-4-7-14(8-5-11)15-9-6-12(2)13(3)10-15/h11-15H,4-10H2,1-3H3/t11?,12?,13-,14?,15-/m1/s1
InChIKeyBKKGINODLQLHAU-CAHHISQNSA-N
MW208.39 g/mol
LogP4.89
Rot. Bonds1

About trans-(2R,4R)-1,2-dimethyl-4-(4-methylcyclohexyl)cyclohexane

trans-(2R,4R)-1,2-dimethyl-4-(4-methylcyclohexyl)cyclohexane (PubChem CID 59970721) has the molecular formula C15H28 and a molecular weight of 208.39 g/mol. Its IUPAC name is trans-(2R,4R)-1,2-dimethyl-4-(4-methylcyclohexyl)cyclohexane.

Molecular Properties

Compound Nametrans-(2R,4R)-1,2-dimethyl-4-(4-methylcyclohexyl)cyclohexane
PubChem CID59970721
Molecular FormulaC15H28
Molecular Weight208.39 g/mol
Exact Mass208.22
IUPAC Nametrans-(2R,4R)-1,2-dimethyl-4-(4-methylcyclohexyl)cyclohexane
SMILESCC1CCC([C@@H]2CCC(C)[C@H](C)C2)CC1
InChIInChI=1S/C15H28/c1-11-4-7-14(8-5-11)15-9-6-12(2)13(3)10-15/h11-15H,4-10H2,1-3H3/t11?,12?,13-,14?,15-/m1/s1
InChIKeyBKKGINODLQLHAU-CAHHISQNSA-N
XLogP4.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.39
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2,4,7-tetramethylcyclononane
CID 123661715
1-iodo-2-methyl-4-(4-methylcyclohexyl)cyclohexane
CID 142624044
1-methyl-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexane;hydrate
CID 169431622
1-(3,4-dimethylcyclohexyl)-2-fluoro-4-(2-fluoro-4-methylcyclohexyl)cyclohexane;2-fluoro-1-[3-fluoro-4-(4-methylcyclohexyl)cyclohexyl]-4-methylcyclohexane;2-fluoro-1-(3-fluoro-4-methylcyclohexyl)-4-(4-methylcyclohexyl)cyclohexane;2-fluoro-4-(3-fluoro-4-methylcyclohexyl)-1-(4-methylcyclohexyl)cyclohexane;dodecahydrate
CID 158122685
(1S)-1-methyl-4-(4-methylcyclohexyl)-2-(trifluoromethyl)cyclohexane
CID 59912966
4-(3,4-dimethylcyclohexyl)pyrazolidine;ethene
CID 144846797
bis(1-methyl-4-(4-methylcyclohexyl)cyclohexane);molecular hydrogen;1,2,3-trimethyl-5-(4-methylcyclohexyl)cyclohexane;hydrate
CID 160608283
2-(3,4-dimethylcyclohexyl)-5-methylpiperidine
CID 106779509
4-(3,4-dimethylcyclohexyl)-2-methylpiperidine
CID 106779525
6-methyl-1,3-bis(4-methylcyclooctyl)cyclooctane;methylcyclooctane
CID 162228402
1-cycloheptyl-3,6-dimethylcyclooctane;methylcyclopropane
CID 158856738
5,6-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 14415240

Frequently Asked Questions

What is the IUPAC name of trans-(2R,4R)-1,2-dimethyl-4-(4-methylcyclohexyl)cyclohexane?
The IUPAC name of trans-(2R,4R)-1,2-dimethyl-4-(4-methylcyclohexyl)cyclohexane (CID 59970721) is trans-(2R,4R)-1,2-dimethyl-4-(4-methylcyclohexyl)cyclohexane.
What is the SMILES notation for trans-(2R,4R)-1,2-dimethyl-4-(4-methylcyclohexyl)cyclohexane?
The canonical SMILES for trans-(2R,4R)-1,2-dimethyl-4-(4-methylcyclohexyl)cyclohexane is CC1CCC([C@@H]2CCC(C)[C@H](C)C2)CC1.
What is the InChIKey of trans-(2R,4R)-1,2-dimethyl-4-(4-methylcyclohexyl)cyclohexane?
The InChIKey is BKKGINODLQLHAU-CAHHISQNSA-N. The full InChI is InChI=1S/C15H28/c1-11-4-7-14(8-5-11)15-9-6-12(2)13(3)10-15/h11-15H,4-10H2,1-3H3/t11?,12?,13-,14?,15-/m1/s1.
What are the key properties of trans-(2R,4R)-1,2-dimethyl-4-(4-methylcyclohexyl)cyclohexane?
trans-(2R,4R)-1,2-dimethyl-4-(4-methylcyclohexyl)cyclohexane has a molecular weight of 208.39 g/mol, XLogP of 4.89, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(2R,4R)-1,2-dimethyl-4-(4-methylcyclohexyl)cyclohexane is sourced from PubChem (CID 59970721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).