1-ethyl-4-(4-ethylcyclohexyl)cyclohexane

C16H30 — CID 19850408

IUPAC1-ethyl-4-(4-ethylcyclohexyl)cyclohexane
SMILESCCC1CCC(C2CCC(CC)CC2)CC1
InChIInChI=1S/C16H30/c1-3-13-5-9-15(10-6-13)16-11-7-14(4-2)8-12-16/h13-16H,3-12H2,1-2H3
InChIKeyRNNITRBAGAGXFV-UHFFFAOYSA-N
MW222.42 g/mol
LogP5.42
Rot. Bonds3

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

1-ethyl-4-(4-ethylcyclohexyl)cyclohexane (PubChem CID 19850408) has the molecular formula C16H30 and a molecular weight of 222.42 g/mol. Its IUPAC name is 1-ethyl-4-(4-ethylcyclohexyl)cyclohexane.

Molecular Properties

Compound Name1-ethyl-4-(4-ethylcyclohexyl)cyclohexane
PubChem CID19850408
Molecular FormulaC16H30
Molecular Weight222.42 g/mol
Exact Mass222.23
IUPAC Name1-ethyl-4-(4-ethylcyclohexyl)cyclohexane
SMILESCCC1CCC(C2CCC(CC)CC2)CC1
InChIInChI=1S/C16H30/c1-3-13-5-9-15(10-6-13)16-11-7-14(4-2)8-12-16/h13-16H,3-12H2,1-2H3
InChIKeyRNNITRBAGAGXFV-UHFFFAOYSA-N
XLogP5.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500222.42
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,4-bis(4-ethylcyclohexyl)cyclohexane
CID 21015051
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-ethyl-4-(4-ethylcyclohexyl)cyclohexane?
The IUPAC name of 1-ethyl-4-(4-ethylcyclohexyl)cyclohexane (CID 19850408) is 1-ethyl-4-(4-ethylcyclohexyl)cyclohexane.
What is the SMILES notation for 1-ethyl-4-(4-ethylcyclohexyl)cyclohexane?
The canonical SMILES for 1-ethyl-4-(4-ethylcyclohexyl)cyclohexane is CCC1CCC(C2CCC(CC)CC2)CC1.
What is the InChIKey of 1-ethyl-4-(4-ethylcyclohexyl)cyclohexane?
The InChIKey is RNNITRBAGAGXFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30/c1-3-13-5-9-15(10-6-13)16-11-7-14(4-2)8-12-16/h13-16H,3-12H2,1-2H3.
What are the key properties of 1-ethyl-4-(4-ethylcyclohexyl)cyclohexane?
1-ethyl-4-(4-ethylcyclohexyl)cyclohexane has a molecular weight of 222.42 g/mol, XLogP of 5.42, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(4-ethylcyclohexyl)cyclohexane is sourced from PubChem (CID 19850408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).