1,4-diethylcyclohexane;1,3-dimethylcyclohexane;1,4-dimethylcyclohexane;1-ethyl-1,3,3,5-tetramethylcyclohexane;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane;1,2,4-trimethylcyclohexane

C62H122 — CID 161058099

IUPAC1,4-diethylcyclohexane;1,3-dimethylcyclohexane;1,4-dimethylcyclohexane;1-ethyl-1,3,3,5-tetramethylcyclohexane;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane;1,2,4-trimethylcyclohexane
SMILESCC1CCC(C)C(C)C1.CC1CCC(C)CC1.CC1CCC(CC2CCC(C)CC2)CC1.CC1CCCC(C)C1.CCC1(C)CC(C)CC(C)(C)C1.CCC1CCC(CC)CC1
InChIInChI=1S/C15H28.C12H24.C10H20.C9H18.2C8H16/c1-12-3-7-14(8-4-12)11-15-9-5-13(2)6-10-15;1-6-12(5)8-10(2)7-11(3,4)9-12;1-3-9-5-7-10(4-2)8-6-9;1-7-4-5-8(2)9(3)6-7;1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7/h12-15H,3-11H2,1-2H3;10H,6-9H2,1-5H3;9-10H,3-8H2,1-2H3;7-9H,4-6H2,1-3H3;2*7-8H,3-6H2,1-2H3
InChIKeyUDAGKHMCTNNVCR-UHFFFAOYSA-N
MW867.66 g/mol
LogP21.63
Rot. Bonds5

About 1,4-diethylcyclohexane;1,3-dimethylcyclohexane;1,4-dimethylcyclohexane;1-ethyl-1,3,3,5-tetramethylcyclohexane;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane;1,2,4-trimethylcyclohexane

1,4-diethylcyclohexane;1,3-dimethylcyclohexane;1,4-dimethylcyclohexane;1-ethyl-1,3,3,5-tetramethylcyclohexane;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane;1,2,4-trimethylcyclohexane (PubChem CID 161058099) has the molecular formula C62H122 and a molecular weight of 867.66 g/mol. Its IUPAC name is 1,4-diethylcyclohexane;1,3-dimethylcyclohexane;1,4-dimethylcyclohexane;1-ethyl-1,3,3,5-tetramethylcyclohexane;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane;1,2,4-trimethylcyclohexane.

Molecular Properties

Compound Name1,4-diethylcyclohexane;1,3-dimethylcyclohexane;1,4-dimethylcyclohexane;1-ethyl-1,3,3,5-tetramethylcyclohexane;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane;1,2,4-trimethylcyclohexane
PubChem CID161058099
Molecular FormulaC62H122
Molecular Weight867.66 g/mol
Exact Mass866.95
IUPAC Name1,4-diethylcyclohexane;1,3-dimethylcyclohexane;1,4-dimethylcyclohexane;1-ethyl-1,3,3,5-tetramethylcyclohexane;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane;1,2,4-trimethylcyclohexane
SMILESCC1CCC(C)C(C)C1.CC1CCC(C)CC1.CC1CCC(CC2CCC(C)CC2)CC1.CC1CCCC(C)C1.CCC1(C)CC(C)CC(C)(C)C1.CCC1CCC(CC)CC1
InChIInChI=1S/C15H28.C12H24.C10H20.C9H18.2C8H16/c1-12-3-7-14(8-4-12)11-15-9-5-13(2)6-10-15;1-6-12(5)8-10(2)7-11(3,4)9-12;1-3-9-5-7-10(4-2)8-6-9;1-7-4-5-8(2)9(3)6-7;1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7/h12-15H,3-11H2,1-2H3;10H,6-9H2,1-5H3;9-10H,3-8H2,1-2H3;7-9H,4-6H2,1-3H3;2*7-8H,3-6H2,1-2H3
InChIKeyUDAGKHMCTNNVCR-UHFFFAOYSA-N
XLogP21.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500867.66
LogP ≤ 521.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,4-diethylcyclohexane;1,3-dimethylcyclohexane;1,4-dimethylcyclohexane;1-ethyl-1,3,3,5-tetramethylcyclohexane;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane;1,2,4-trimethylcyclohexane with MolForge

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Related Compounds

1,3-diethylcyclohexane;1,4-diethylcyclohexane;4-[1-(3,4-dimethylcyclohexyl)ethyl]-1,2-dimethylcyclohexane;4-[(3,4-dimethylcyclohexyl)methyl]-1,2-dimethylcyclohexane;4-[2-(3,4-dimethylcyclohexyl)propan-2-yl]-1,2-dimethylcyclohexane;ethane;1-ethyl-1,3,3,5-tetramethylcyclohexane;1-methyl-4-[1-(4-methylcyclohexyl)ethyl]cyclohexane;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane;1-methyl-4-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexane;tricyclo[5.2.1.02,6]decane
CID 164963292
1-ethyl-1,3,3,5-tetramethylcyclohexane;methane
CID 144643068
benzene;ethane;1-ethyl-1,3,3,5-tetramethylcyclohexane
CID 158757450
1-[(4-ethylcyclohexyl)methyl]-4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]cyclohexane;methane
CID 160789108
2,4-dimethyl-1-[(4-methylphenyl)methyl]benzene;1-ethyl-1,3,3,5-tetramethylcyclohexane;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane;1-methyl-4-[(4-methylphenyl)methyl]benzene;1,2,3-trimethylbenzene;1,2,4-trimethylbenzene
CID 161411328
1-[(3-ethylcyclobutyl)methyl]-4-methylcyclohexane
CID 147298392
4-ethyl-1,7-dimethylcyclododecane
CID 123234850
1,2,4,7-tetramethylcyclononane
CID 123661715
1-ethyl-4-methylcyclooctane;methane
CID 159989571
4-ethyl-1,1,8-trimethylcycloundecane
CID 123611598
1,5-diethyl-1,3,5,7-tetramethylcyclooctane
CID 158662889
(3R)-1,3-dimethylcyclopentane;ethylcyclopentane;bis(1-ethyl-1-methylcyclobutane);1-ethyl-3-methylcyclobutane;propan-2-ylcyclobutane;propylcyclobutane;(3R)-1,1,3-trimethylcyclopentane
CID 167653207

Frequently Asked Questions

What is the IUPAC name of 1,4-diethylcyclohexane;1,3-dimethylcyclohexane;1,4-dimethylcyclohexane;1-ethyl-1,3,3,5-tetramethylcyclohexane;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane;1,2,4-trimethylcyclohexane?
The IUPAC name of 1,4-diethylcyclohexane;1,3-dimethylcyclohexane;1,4-dimethylcyclohexane;1-ethyl-1,3,3,5-tetramethylcyclohexane;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane;1,2,4-trimethylcyclohexane (CID 161058099) is 1,4-diethylcyclohexane;1,3-dimethylcyclohexane;1,4-dimethylcyclohexane;1-ethyl-1,3,3,5-tetramethylcyclohexane;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane;1,2,4-trimethylcyclohexane.
What is the SMILES notation for 1,4-diethylcyclohexane;1,3-dimethylcyclohexane;1,4-dimethylcyclohexane;1-ethyl-1,3,3,5-tetramethylcyclohexane;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane;1,2,4-trimethylcyclohexane?
The canonical SMILES for 1,4-diethylcyclohexane;1,3-dimethylcyclohexane;1,4-dimethylcyclohexane;1-ethyl-1,3,3,5-tetramethylcyclohexane;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane;1,2,4-trimethylcyclohexane is CC1CCC(C)C(C)C1.CC1CCC(C)CC1.CC1CCC(CC2CCC(C)CC2)CC1.CC1CCCC(C)C1.CCC1(C)CC(C)CC(C)(C)C1.CCC1CCC(CC)CC1.
What is the InChIKey of 1,4-diethylcyclohexane;1,3-dimethylcyclohexane;1,4-dimethylcyclohexane;1-ethyl-1,3,3,5-tetramethylcyclohexane;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane;1,2,4-trimethylcyclohexane?
The InChIKey is UDAGKHMCTNNVCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28.C12H24.C10H20.C9H18.2C8H16/c1-12-3-7-14(8-4-12)11-15-9-5-13(2)6-10-15;1-6-12(5)8-10(2)7-11(3,4)9-12;1-3-9-5-7-10(4-2)8-6-9;1-7-4-5-8(2)9(3)6-7;1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7/h12-15H,3-11H2,1-2H3;10H,6-9H2,1-5H3;9-10H,3-8H2,1-2H3;7-9H,4-6H2,1-3H3;2*7-8H,3-6H2,1-2H3.
What are the key properties of 1,4-diethylcyclohexane;1,3-dimethylcyclohexane;1,4-dimethylcyclohexane;1-ethyl-1,3,3,5-tetramethylcyclohexane;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane;1,2,4-trimethylcyclohexane?
1,4-diethylcyclohexane;1,3-dimethylcyclohexane;1,4-dimethylcyclohexane;1-ethyl-1,3,3,5-tetramethylcyclohexane;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane;1,2,4-trimethylcyclohexane has a molecular weight of 867.66 g/mol, XLogP of 21.63, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diethylcyclohexane;1,3-dimethylcyclohexane;1,4-dimethylcyclohexane;1-ethyl-1,3,3,5-tetramethylcyclohexane;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane;1,2,4-trimethylcyclohexane is sourced from PubChem (CID 161058099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).