1,4-bis(ethenyl)-2-ethylcyclopentane;1,2,4-triethylcyclopentane

C22H40 — CID 159880976

IUPAC1,4-bis(ethenyl)-2-ethylcyclopentane;1,2,4-triethylcyclopentane
SMILESC=CC1CC(C=C)C(CC)C1.CCC1CC(CC)C(CC)C1
InChIInChI=1S/C11H22.C11H18/c2*1-4-9-7-10(5-2)11(6-3)8-9/h9-11H,4-8H2,1-3H3;4-5,9-11H,1-2,6-8H2,3H3
InChIKeyNTNFDOYLYASGDG-UHFFFAOYSA-N
MW304.56 g/mol
LogP7.27
Rot. Bonds6

About 1,4-bis(ethenyl)-2-ethylcyclopentane;1,2,4-triethylcyclopentane

1,4-bis(ethenyl)-2-ethylcyclopentane;1,2,4-triethylcyclopentane (PubChem CID 159880976) has the molecular formula C22H40 and a molecular weight of 304.56 g/mol. Its IUPAC name is 1,4-bis(ethenyl)-2-ethylcyclopentane;1,2,4-triethylcyclopentane.

Molecular Properties

Compound Name1,4-bis(ethenyl)-2-ethylcyclopentane;1,2,4-triethylcyclopentane
PubChem CID159880976
Molecular FormulaC22H40
Molecular Weight304.56 g/mol
Exact Mass304.31
IUPAC Name1,4-bis(ethenyl)-2-ethylcyclopentane;1,2,4-triethylcyclopentane
SMILESC=CC1CC(C=C)C(CC)C1.CCC1CC(CC)C(CC)C1
InChIInChI=1S/C11H22.C11H18/c2*1-4-9-7-10(5-2)11(6-3)8-9/h9-11H,4-8H2,1-3H3;4-5,9-11H,1-2,6-8H2,3H3
InChIKeyNTNFDOYLYASGDG-UHFFFAOYSA-N
XLogP7.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.56
LogP ≤ 57.27
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-ethylcyclopentane;1,2,4-triethylcyclopentane?
The IUPAC name of 1,4-bis(ethenyl)-2-ethylcyclopentane;1,2,4-triethylcyclopentane (CID 159880976) is 1,4-bis(ethenyl)-2-ethylcyclopentane;1,2,4-triethylcyclopentane.
What is the SMILES notation for 1,4-bis(ethenyl)-2-ethylcyclopentane;1,2,4-triethylcyclopentane?
The canonical SMILES for 1,4-bis(ethenyl)-2-ethylcyclopentane;1,2,4-triethylcyclopentane is C=CC1CC(C=C)C(CC)C1.CCC1CC(CC)C(CC)C1.
What is the InChIKey of 1,4-bis(ethenyl)-2-ethylcyclopentane;1,2,4-triethylcyclopentane?
The InChIKey is NTNFDOYLYASGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22.C11H18/c2*1-4-9-7-10(5-2)11(6-3)8-9/h9-11H,4-8H2,1-3H3;4-5,9-11H,1-2,6-8H2,3H3.
What are the key properties of 1,4-bis(ethenyl)-2-ethylcyclopentane;1,2,4-triethylcyclopentane?
1,4-bis(ethenyl)-2-ethylcyclopentane;1,2,4-triethylcyclopentane has a molecular weight of 304.56 g/mol, XLogP of 7.27, 6 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-ethylcyclopentane;1,2,4-triethylcyclopentane is sourced from PubChem (CID 159880976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).