2-(2,5-dimethylcyclohexyl)-1,4-dimethylcyclohexane

C16H30 — CID 91483098

IUPAC2-(2,5-dimethylcyclohexyl)-1,4-dimethylcyclohexane
SMILESCC1CCC(C)C(C2CC(C)CCC2C)C1
InChIInChI=1S/C16H30/c1-11-5-7-13(3)15(9-11)16-10-12(2)6-8-14(16)4/h11-16H,5-10H2,1-4H3
InChIKeyUDUUQZATOSDJTL-UHFFFAOYSA-N
MW222.42 g/mol
LogP5.13
Rot. Bonds1

About 2-(2,5-dimethylcyclohexyl)-1,4-dimethylcyclohexane

2-(2,5-dimethylcyclohexyl)-1,4-dimethylcyclohexane (PubChem CID 91483098) has the molecular formula C16H30 and a molecular weight of 222.42 g/mol. Its IUPAC name is 2-(2,5-dimethylcyclohexyl)-1,4-dimethylcyclohexane.

Molecular Properties

Compound Name2-(2,5-dimethylcyclohexyl)-1,4-dimethylcyclohexane
PubChem CID91483098
Molecular FormulaC16H30
Molecular Weight222.42 g/mol
Exact Mass222.23
IUPAC Name2-(2,5-dimethylcyclohexyl)-1,4-dimethylcyclohexane
SMILESCC1CCC(C)C(C2CC(C)CCC2C)C1
InChIInChI=1S/C16H30/c1-11-5-7-13(3)15(9-11)16-10-12(2)6-8-14(16)4/h11-16H,5-10H2,1-4H3
InChIKeyUDUUQZATOSDJTL-UHFFFAOYSA-N
XLogP5.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500222.42
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,4-dimethyl-2-[5-methyl-2-(4-methylcyclohexyl)cyclohexyl]cyclohexane
CID 142208106
(4S,4aR,8aS)-1,6-dimethyl-4-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;(4S,4aR,8aR)-1,6-dimethyl-4-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;(4S,4aS,8aS)-1,6-dimethyl-4-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;(4S,4aS,8aR)-1,6-dimethyl-4-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 162070754
(1S,4S)-1,6-dimethyl-4-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 153428714
1,3,6,8-tetramethylcyclodecane
CID 162455053
(3R)-1,3-dimethylcyclopentane
CID 13119651
1,2,4,7-tetramethylcyclononane
CID 123661715
2,6-dimethylbicyclo[3.2.0]heptane
CID 91170917
1,5-dimethyl-1,2,3,3a,4,5,6,6a-octahydropentalene
CID 54398064
(2R)-1,4-dimethyl-2-propan-2-ylcyclohexane
CID 149206895
(1R,2R,5S)-2,5-dimethylcyclohexan-1-ol
CID 12794034
2,7,9,10-tetramethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
CID 90983654
3,7,8-trimethylbicyclo[4.2.0]octane
CID 58950408

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylcyclohexyl)-1,4-dimethylcyclohexane?
The IUPAC name of 2-(2,5-dimethylcyclohexyl)-1,4-dimethylcyclohexane (CID 91483098) is 2-(2,5-dimethylcyclohexyl)-1,4-dimethylcyclohexane.
What is the SMILES notation for 2-(2,5-dimethylcyclohexyl)-1,4-dimethylcyclohexane?
The canonical SMILES for 2-(2,5-dimethylcyclohexyl)-1,4-dimethylcyclohexane is CC1CCC(C)C(C2CC(C)CCC2C)C1.
What is the InChIKey of 2-(2,5-dimethylcyclohexyl)-1,4-dimethylcyclohexane?
The InChIKey is UDUUQZATOSDJTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30/c1-11-5-7-13(3)15(9-11)16-10-12(2)6-8-14(16)4/h11-16H,5-10H2,1-4H3.
What are the key properties of 2-(2,5-dimethylcyclohexyl)-1,4-dimethylcyclohexane?
2-(2,5-dimethylcyclohexyl)-1,4-dimethylcyclohexane has a molecular weight of 222.42 g/mol, XLogP of 5.13, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylcyclohexyl)-1,4-dimethylcyclohexane is sourced from PubChem (CID 91483098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).