1,3,5-trimethyl-2-(2,4,6-trimethylcyclohexyl)cyclohexane

C18H34 — CID 59549992

IUPAC1,3,5-trimethyl-2-(2,4,6-trimethylcyclohexyl)cyclohexane
SMILESCC1CC(C)C(C2C(C)CC(C)CC2C)C(C)C1
InChIInChI=1S/C18H34/c1-11-7-13(3)17(14(4)8-11)18-15(5)9-12(2)10-16(18)6/h11-18H,7-10H2,1-6H3
InChIKeyMGSWITICNRBOTC-UHFFFAOYSA-N
MW250.47 g/mol
LogP5.62
Rot. Bonds1

About 1,3,5-trimethyl-2-(2,4,6-trimethylcyclohexyl)cyclohexane

1,3,5-trimethyl-2-(2,4,6-trimethylcyclohexyl)cyclohexane (PubChem CID 59549992) has the molecular formula C18H34 and a molecular weight of 250.47 g/mol. Its IUPAC name is 1,3,5-trimethyl-2-(2,4,6-trimethylcyclohexyl)cyclohexane.

Molecular Properties

Compound Name1,3,5-trimethyl-2-(2,4,6-trimethylcyclohexyl)cyclohexane
PubChem CID59549992
Molecular FormulaC18H34
Molecular Weight250.47 g/mol
Exact Mass250.27
IUPAC Name1,3,5-trimethyl-2-(2,4,6-trimethylcyclohexyl)cyclohexane
SMILESCC1CC(C)C(C2C(C)CC(C)CC2C)C(C)C1
InChIInChI=1S/C18H34/c1-11-7-13(3)17(14(4)8-11)18-15(5)9-12(2)10-16(18)6/h11-18H,7-10H2,1-6H3
InChIKeyMGSWITICNRBOTC-UHFFFAOYSA-N
XLogP5.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.47
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

methane;1,2,4-trimethylcyclopentane
CID 157268000
1,2,5,7-tetramethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 123875044
1,2,3,5,7-pentamethylcyclooctane
CID 91401486
3,5,9,10-tetramethyltricyclo[5.4.1.04,12]dodecane
CID 123629229
deuterium monohydride;1,2-dimethylcyclopropane
CID 159192336
cis-(1S,4R)-1-fluoro-2,4-dimethylcyclopentane
CID 169143039
(1R,2S,4R)-2,4-dimethylcyclopentan-1-amine
CID 134253027
1-bromo-3-methylcyclobutane
CID 14372773
2-tert-butyl-1,3,5-trimethylcyclohexane
CID 59523055
2,4-dimethylbicyclo[4.1.0]heptane-7-carboxamide
CID 10329688
1,3-dimethyl-2-(2-methylcyclopropyl)cyclobutane
CID 91132090
1,4-dimethyl-2-propan-2-ylcyclopentane
CID 91513076

Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-2-(2,4,6-trimethylcyclohexyl)cyclohexane?
The IUPAC name of 1,3,5-trimethyl-2-(2,4,6-trimethylcyclohexyl)cyclohexane (CID 59549992) is 1,3,5-trimethyl-2-(2,4,6-trimethylcyclohexyl)cyclohexane.
What is the SMILES notation for 1,3,5-trimethyl-2-(2,4,6-trimethylcyclohexyl)cyclohexane?
The canonical SMILES for 1,3,5-trimethyl-2-(2,4,6-trimethylcyclohexyl)cyclohexane is CC1CC(C)C(C2C(C)CC(C)CC2C)C(C)C1.
What is the InChIKey of 1,3,5-trimethyl-2-(2,4,6-trimethylcyclohexyl)cyclohexane?
The InChIKey is MGSWITICNRBOTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34/c1-11-7-13(3)17(14(4)8-11)18-15(5)9-12(2)10-16(18)6/h11-18H,7-10H2,1-6H3.
What are the key properties of 1,3,5-trimethyl-2-(2,4,6-trimethylcyclohexyl)cyclohexane?
1,3,5-trimethyl-2-(2,4,6-trimethylcyclohexyl)cyclohexane has a molecular weight of 250.47 g/mol, XLogP of 5.62, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-2-(2,4,6-trimethylcyclohexyl)cyclohexane is sourced from PubChem (CID 59549992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).