1,4-bis(4-ethylcyclohexyl)cyclohexane

C22H40 — CID 21015051

IUPAC1,4-bis(4-ethylcyclohexyl)cyclohexane
SMILESCCC1CCC(C2CCC(C3CCC(CC)CC3)CC2)CC1
InChIInChI=1S/C22H40/c1-3-17-5-9-19(10-6-17)21-13-15-22(16-14-21)20-11-7-18(4-2)8-12-20/h17-22H,3-16H2,1-2H3
InChIKeyXXSXBRKQLFZEDH-UHFFFAOYSA-N
MW304.56 g/mol
LogP7.23
Rot. Bonds4

About 1,4-bis(4-ethylcyclohexyl)cyclohexane

1,4-bis(4-ethylcyclohexyl)cyclohexane (PubChem CID 21015051) has the molecular formula C22H40 and a molecular weight of 304.56 g/mol. Its IUPAC name is 1,4-bis(4-ethylcyclohexyl)cyclohexane.

Molecular Properties

Compound Name1,4-bis(4-ethylcyclohexyl)cyclohexane
PubChem CID21015051
Molecular FormulaC22H40
Molecular Weight304.56 g/mol
Exact Mass304.31
IUPAC Name1,4-bis(4-ethylcyclohexyl)cyclohexane
SMILESCCC1CCC(C2CCC(C3CCC(CC)CC3)CC2)CC1
InChIInChI=1S/C22H40/c1-3-17-5-9-19(10-6-17)21-13-15-22(16-14-21)20-11-7-18(4-2)8-12-20/h17-22H,3-16H2,1-2H3
InChIKeyXXSXBRKQLFZEDH-UHFFFAOYSA-N
XLogP7.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.56
LogP ≤ 57.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-ethyl-4-(4-ethylcyclohexyl)cyclohexane
CID 19850408
1-ethyl-4-(4-methylcyclohexyl)cyclohexane
CID 19850420
ethane;ethylcyclopropane
CID 91380076
azane;ethylcyclopropane
CID 20975579
2,7-diethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 58695351
4-(4-ethylcyclohexyl)piperidine
CID 20603175
1-cyclopropyl-3-ethylcyclobutane
CID 123813009
4-(4-ethylcyclohexyl)cyclohexane-1-carbaldehyde
CID 15430928
1-ethyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-(4-propylcyclohexyl)cyclohexane
CID 173420851
ethanamine;ethylcyclopropane
CID 70018487
1-but-3-enyl-4-(4-ethylcyclohexyl)cyclohexane
CID 53487174
ethane;1-ethyl-4-(4-pentylcyclohexyl)cyclohexane;methane
CID 164590716

Frequently Asked Questions

What is the IUPAC name of 1,4-bis(4-ethylcyclohexyl)cyclohexane?
The IUPAC name of 1,4-bis(4-ethylcyclohexyl)cyclohexane (CID 21015051) is 1,4-bis(4-ethylcyclohexyl)cyclohexane.
What is the SMILES notation for 1,4-bis(4-ethylcyclohexyl)cyclohexane?
The canonical SMILES for 1,4-bis(4-ethylcyclohexyl)cyclohexane is CCC1CCC(C2CCC(C3CCC(CC)CC3)CC2)CC1.
What is the InChIKey of 1,4-bis(4-ethylcyclohexyl)cyclohexane?
The InChIKey is XXSXBRKQLFZEDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40/c1-3-17-5-9-19(10-6-17)21-13-15-22(16-14-21)20-11-7-18(4-2)8-12-20/h17-22H,3-16H2,1-2H3.
What are the key properties of 1,4-bis(4-ethylcyclohexyl)cyclohexane?
1,4-bis(4-ethylcyclohexyl)cyclohexane has a molecular weight of 304.56 g/mol, XLogP of 7.23, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(4-ethylcyclohexyl)cyclohexane is sourced from PubChem (CID 21015051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).