1-ethyl-4-[2-(4-ethylcyclohexyl)ethenyl]cyclohexane

C18H32 — CID 140739356

IUPAC1-ethyl-4-[2-(4-ethylcyclohexyl)ethenyl]cyclohexane
SMILESCCC1CCC(C=CC2CCC(CC)CC2)CC1
InChIInChI=1S/C18H32/c1-3-15-5-9-17(10-6-15)13-14-18-11-7-16(4-2)8-12-18/h13-18H,3-12H2,1-2H3
InChIKeyLMUBOVCLKHUNJU-UHFFFAOYSA-N
MW248.45 g/mol
LogP5.98
Rot. Bonds4

About 1-ethyl-4-[2-(4-ethylcyclohexyl)ethenyl]cyclohexane

1-ethyl-4-[2-(4-ethylcyclohexyl)ethenyl]cyclohexane (PubChem CID 140739356) has the molecular formula C18H32 and a molecular weight of 248.45 g/mol. Its IUPAC name is 1-ethyl-4-[2-(4-ethylcyclohexyl)ethenyl]cyclohexane.

Molecular Properties

Compound Name1-ethyl-4-[2-(4-ethylcyclohexyl)ethenyl]cyclohexane
PubChem CID140739356
Molecular FormulaC18H32
Molecular Weight248.45 g/mol
Exact Mass248.25
IUPAC Name1-ethyl-4-[2-(4-ethylcyclohexyl)ethenyl]cyclohexane
SMILESCCC1CCC(C=CC2CCC(CC)CC2)CC1
InChIInChI=1S/C18H32/c1-3-15-5-9-17(10-6-15)13-14-18-11-7-16(4-2)8-12-18/h13-18H,3-12H2,1-2H3
InChIKeyLMUBOVCLKHUNJU-UHFFFAOYSA-N
XLogP5.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.45
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(2-bromoethenyl)-4-ethylcyclohexane
CID 173341809
1-ethyl-4-[(E)-prop-1-enyl]cyclohexane
CID 59981886
1-ethyl-4-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]cyclohexane
CID 101139962
1-ethyl-4-(2-methoxyethenyl)cyclohexane
CID 91328086
ethane;ethylcyclopropane
CID 91380076
azane;ethylcyclopropane
CID 20975579
ethane;4-ethylcyclohexane-1-carbaldehyde
CID 145257925
1-ethyl-4-[(E)-4-(4-prop-1-enylcyclohexyl)but-1-enyl]cyclohexane
CID 173282061
1-ethyl-4-[(E)-4-[4-[(E)-pent-3-enyl]cyclohexyl]but-1-enyl]cyclohexane
CID 19070206
4-(4-ethylcyclohexyl)cyclohexane-1-carbaldehyde
CID 15430928
1-methyl-4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexane
CID 143239770
1-but-1-enyl-4-[4-[4-(4-ethylcyclohexyl)cyclohexyl]but-1-enyl]cyclohexane
CID 54321216

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[2-(4-ethylcyclohexyl)ethenyl]cyclohexane?
The IUPAC name of 1-ethyl-4-[2-(4-ethylcyclohexyl)ethenyl]cyclohexane (CID 140739356) is 1-ethyl-4-[2-(4-ethylcyclohexyl)ethenyl]cyclohexane.
What is the SMILES notation for 1-ethyl-4-[2-(4-ethylcyclohexyl)ethenyl]cyclohexane?
The canonical SMILES for 1-ethyl-4-[2-(4-ethylcyclohexyl)ethenyl]cyclohexane is CCC1CCC(C=CC2CCC(CC)CC2)CC1.
What is the InChIKey of 1-ethyl-4-[2-(4-ethylcyclohexyl)ethenyl]cyclohexane?
The InChIKey is LMUBOVCLKHUNJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32/c1-3-15-5-9-17(10-6-15)13-14-18-11-7-16(4-2)8-12-18/h13-18H,3-12H2,1-2H3.
What are the key properties of 1-ethyl-4-[2-(4-ethylcyclohexyl)ethenyl]cyclohexane?
1-ethyl-4-[2-(4-ethylcyclohexyl)ethenyl]cyclohexane has a molecular weight of 248.45 g/mol, XLogP of 5.98, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[2-(4-ethylcyclohexyl)ethenyl]cyclohexane is sourced from PubChem (CID 140739356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).