1,4-bis(ethenyl)-2-ethylcyclohexane

C12H20 — CID 142317561

IUPAC1,4-bis(ethenyl)-2-ethylcyclohexane
SMILESC=CC1CCC(C=C)C(CC)C1
InChIInChI=1S/C12H20/c1-4-10-7-8-11(5-2)12(6-3)9-10/h4-5,10-12H,1-2,6-9H2,3H3
InChIKeyBOTWQMRUXMMEQQ-UHFFFAOYSA-N
MW164.29 g/mol
LogP3.80
Rot. Bonds3

About 1,4-bis(ethenyl)-2-ethylcyclohexane

1,4-bis(ethenyl)-2-ethylcyclohexane (PubChem CID 142317561) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is 1,4-bis(ethenyl)-2-ethylcyclohexane.

Molecular Properties

Compound Name1,4-bis(ethenyl)-2-ethylcyclohexane
PubChem CID142317561
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name1,4-bis(ethenyl)-2-ethylcyclohexane
SMILESC=CC1CCC(C=C)C(CC)C1
InChIInChI=1S/C12H20/c1-4-10-7-8-11(5-2)12(6-3)9-10/h4-5,10-12H,1-2,6-9H2,3H3
InChIKeyBOTWQMRUXMMEQQ-UHFFFAOYSA-N
XLogP3.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,4-bis(ethenyl)-2-ethylcyclohexane?
The IUPAC name of 1,4-bis(ethenyl)-2-ethylcyclohexane (CID 142317561) is 1,4-bis(ethenyl)-2-ethylcyclohexane.
What is the SMILES notation for 1,4-bis(ethenyl)-2-ethylcyclohexane?
The canonical SMILES for 1,4-bis(ethenyl)-2-ethylcyclohexane is C=CC1CCC(C=C)C(CC)C1.
What is the InChIKey of 1,4-bis(ethenyl)-2-ethylcyclohexane?
The InChIKey is BOTWQMRUXMMEQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20/c1-4-10-7-8-11(5-2)12(6-3)9-10/h4-5,10-12H,1-2,6-9H2,3H3.
What are the key properties of 1,4-bis(ethenyl)-2-ethylcyclohexane?
1,4-bis(ethenyl)-2-ethylcyclohexane has a molecular weight of 164.29 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(ethenyl)-2-ethylcyclohexane is sourced from PubChem (CID 142317561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).