1,4-dimethyl-2-[5-methyl-2-(4-methylcyclohexyl)cyclohexyl]cyclohexane

C22H40 — CID 142208106

IUPAC1,4-dimethyl-2-[5-methyl-2-(4-methylcyclohexyl)cyclohexyl]cyclohexane
SMILESCC1CCC(C2CCC(C)CC2C2CC(C)CCC2C)CC1
InChIInChI=1S/C22H40/c1-15-6-10-19(11-7-15)20-12-8-17(3)14-22(20)21-13-16(2)5-9-18(21)4/h15-22H,5-14H2,1-4H3
InChIKeyBACUUFRZNONDOH-UHFFFAOYSA-N
MW304.56 g/mol
LogP6.94
Rot. Bonds2

About 1,4-dimethyl-2-[5-methyl-2-(4-methylcyclohexyl)cyclohexyl]cyclohexane

1,4-dimethyl-2-[5-methyl-2-(4-methylcyclohexyl)cyclohexyl]cyclohexane (PubChem CID 142208106) has the molecular formula C22H40 and a molecular weight of 304.56 g/mol. Its IUPAC name is 1,4-dimethyl-2-[5-methyl-2-(4-methylcyclohexyl)cyclohexyl]cyclohexane.

Molecular Properties

Compound Name1,4-dimethyl-2-[5-methyl-2-(4-methylcyclohexyl)cyclohexyl]cyclohexane
PubChem CID142208106
Molecular FormulaC22H40
Molecular Weight304.56 g/mol
Exact Mass304.31
IUPAC Name1,4-dimethyl-2-[5-methyl-2-(4-methylcyclohexyl)cyclohexyl]cyclohexane
SMILESCC1CCC(C2CCC(C)CC2C2CC(C)CCC2C)CC1
InChIInChI=1S/C22H40/c1-15-6-10-19(11-7-15)20-12-8-17(3)14-22(20)21-13-16(2)5-9-18(21)4/h15-22H,5-14H2,1-4H3
InChIKeyBACUUFRZNONDOH-UHFFFAOYSA-N
XLogP6.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.56
LogP ≤ 56.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-(2,5-dimethylcyclohexyl)-1,4-dimethylcyclohexane
CID 91483098
3-methyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
CID 140574034
1,5-dimethyl-1,2,3,3a,4,5,6,6a-octahydropentalene
CID 54398064
(2R,4aS,4bS,8aR,10aR)-2-methyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
CID 97102805
1-[2-(2-cyclopropylcyclopropyl)cyclopropyl]-2-[2-(2-methylcyclopropyl)cyclopropyl]cyclopropane
CID 164717354
1-[2-(2-cyclopropylcyclopropyl)cyclopropyl]-2-[2-(2-methylcyclopropyl)cyclopropyl]cyclopropane;1-(2-cyclopropylcyclopropyl)-2-(2-methylcyclopropyl)cyclopropane;1-(2-cyclopropylcyclopropyl)-2-[2-(2-methylcyclopropyl)cyclopropyl]cyclopropane;1-cyclopropyl-2-(2-methylcyclopropyl)cyclopropane
CID 165057810
3-methyl-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene
CID 20683773
ethane;3-methyl-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene
CID 143732334
2,3-difluoro-1-methyl-4-(4-methylcyclohexyl)cyclohexane;hydrate
CID 160840388
(1S,2S)-2-methylbicyclo[3.1.0]hexane
CID 154518403
2,6-dimethylbicyclo[3.2.0]heptane
CID 91170917
1,2,4,7-tetramethylcyclononane
CID 123661715

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-2-[5-methyl-2-(4-methylcyclohexyl)cyclohexyl]cyclohexane?
The IUPAC name of 1,4-dimethyl-2-[5-methyl-2-(4-methylcyclohexyl)cyclohexyl]cyclohexane (CID 142208106) is 1,4-dimethyl-2-[5-methyl-2-(4-methylcyclohexyl)cyclohexyl]cyclohexane.
What is the SMILES notation for 1,4-dimethyl-2-[5-methyl-2-(4-methylcyclohexyl)cyclohexyl]cyclohexane?
The canonical SMILES for 1,4-dimethyl-2-[5-methyl-2-(4-methylcyclohexyl)cyclohexyl]cyclohexane is CC1CCC(C2CCC(C)CC2C2CC(C)CCC2C)CC1.
What is the InChIKey of 1,4-dimethyl-2-[5-methyl-2-(4-methylcyclohexyl)cyclohexyl]cyclohexane?
The InChIKey is BACUUFRZNONDOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40/c1-15-6-10-19(11-7-15)20-12-8-17(3)14-22(20)21-13-16(2)5-9-18(21)4/h15-22H,5-14H2,1-4H3.
What are the key properties of 1,4-dimethyl-2-[5-methyl-2-(4-methylcyclohexyl)cyclohexyl]cyclohexane?
1,4-dimethyl-2-[5-methyl-2-(4-methylcyclohexyl)cyclohexyl]cyclohexane has a molecular weight of 304.56 g/mol, XLogP of 6.94, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-2-[5-methyl-2-(4-methylcyclohexyl)cyclohexyl]cyclohexane is sourced from PubChem (CID 142208106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).