1-ethyl-4-(4-methylcyclohexyl)cyclohexane

C15H28 — CID 19850420

IUPAC1-ethyl-4-(4-methylcyclohexyl)cyclohexane
SMILESCCC1CCC(C2CCC(C)CC2)CC1
InChIInChI=1S/C15H28/c1-3-13-6-10-15(11-7-13)14-8-4-12(2)5-9-14/h12-15H,3-11H2,1-2H3
InChIKeyHHMLDALYCMCYTD-UHFFFAOYSA-N
MW208.39 g/mol
LogP5.03
Rot. Bonds2

About 1-ethyl-4-(4-methylcyclohexyl)cyclohexane

1-ethyl-4-(4-methylcyclohexyl)cyclohexane (PubChem CID 19850420) has the molecular formula C15H28 and a molecular weight of 208.39 g/mol. Its IUPAC name is 1-ethyl-4-(4-methylcyclohexyl)cyclohexane.

Molecular Properties

Compound Name1-ethyl-4-(4-methylcyclohexyl)cyclohexane
PubChem CID19850420
Molecular FormulaC15H28
Molecular Weight208.39 g/mol
Exact Mass208.22
IUPAC Name1-ethyl-4-(4-methylcyclohexyl)cyclohexane
SMILESCCC1CCC(C2CCC(C)CC2)CC1
InChIInChI=1S/C15H28/c1-3-13-6-10-15(11-7-13)14-8-4-12(2)5-9-14/h12-15H,3-11H2,1-2H3
InChIKeyHHMLDALYCMCYTD-UHFFFAOYSA-N
XLogP5.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500208.39
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-ethyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-(4-propylcyclohexyl)cyclohexane
CID 173420851
1,4-bis(4-ethylcyclohexyl)cyclohexane
CID 21015051
1-ethyl-4-(4-ethylcyclohexyl)cyclohexane
CID 19850408
1-ethyl-4-methylcyclohexane;2-methylprop-1-ene
CID 154678997
1-ethyl-4-methylcyclohexane;pentane
CID 159787850
1-[(4-ethylcyclohexyl)methyl]-4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]cyclohexane;methane
CID 160789108
4-ethyl-1,7-dimethylcyclododecane
CID 123234850
1-methyl-4-(4-propylcyclohexyl)cyclohexane
CID 543958
1-ethyl-4-methylcyclooctane;methane
CID 159989571
1,4-diethylcyclohexane;1-methyl-4-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexane
CID 163450163
1-ethyl-4-[2-(4-methylcyclohexyl)ethynyl]cyclohexane
CID 19984734
azane;ethylcyclopropane
CID 20975579

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(4-methylcyclohexyl)cyclohexane?
The IUPAC name of 1-ethyl-4-(4-methylcyclohexyl)cyclohexane (CID 19850420) is 1-ethyl-4-(4-methylcyclohexyl)cyclohexane.
What is the SMILES notation for 1-ethyl-4-(4-methylcyclohexyl)cyclohexane?
The canonical SMILES for 1-ethyl-4-(4-methylcyclohexyl)cyclohexane is CCC1CCC(C2CCC(C)CC2)CC1.
What is the InChIKey of 1-ethyl-4-(4-methylcyclohexyl)cyclohexane?
The InChIKey is HHMLDALYCMCYTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28/c1-3-13-6-10-15(11-7-13)14-8-4-12(2)5-9-14/h12-15H,3-11H2,1-2H3.
What are the key properties of 1-ethyl-4-(4-methylcyclohexyl)cyclohexane?
1-ethyl-4-(4-methylcyclohexyl)cyclohexane has a molecular weight of 208.39 g/mol, XLogP of 5.03, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(4-methylcyclohexyl)cyclohexane is sourced from PubChem (CID 19850420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).