3,3,5,5-tetraethylcyclopentene

C13H24 — CID 141036060

IUPAC3,3,5,5-tetraethylcyclopentene
SMILESCCC1(CC)C=CC(CC)(CC)C1
InChIInChI=1S/C13H24/c1-5-12(6-2)9-10-13(7-3,8-4)11-12/h9-10H,5-8,11H2,1-4H3
InChIKeyTYQHQBMSSNVWSR-UHFFFAOYSA-N
MW180.34 g/mol
LogP4.56
Rot. Bonds4

About 3,3,5,5-tetraethylcyclopentene

3,3,5,5-tetraethylcyclopentene (PubChem CID 141036060) has the molecular formula C13H24 and a molecular weight of 180.34 g/mol. Its IUPAC name is 3,3,5,5-tetraethylcyclopentene.

Molecular Properties

Compound Name3,3,5,5-tetraethylcyclopentene
PubChem CID141036060
Molecular FormulaC13H24
Molecular Weight180.34 g/mol
Exact Mass180.19
IUPAC Name3,3,5,5-tetraethylcyclopentene
SMILESCCC1(CC)C=CC(CC)(CC)C1
InChIInChI=1S/C13H24/c1-5-12(6-2)9-10-13(7-3,8-4)11-12/h9-10H,5-8,11H2,1-4H3
InChIKeyTYQHQBMSSNVWSR-UHFFFAOYSA-N
XLogP4.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.34
LogP ≤ 54.56
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 3,3,5,5-tetraethylcyclopentene?
The IUPAC name of 3,3,5,5-tetraethylcyclopentene (CID 141036060) is 3,3,5,5-tetraethylcyclopentene.
What is the SMILES notation for 3,3,5,5-tetraethylcyclopentene?
The canonical SMILES for 3,3,5,5-tetraethylcyclopentene is CCC1(CC)C=CC(CC)(CC)C1.
What is the InChIKey of 3,3,5,5-tetraethylcyclopentene?
The InChIKey is TYQHQBMSSNVWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24/c1-5-12(6-2)9-10-13(7-3,8-4)11-12/h9-10H,5-8,11H2,1-4H3.
What are the key properties of 3,3,5,5-tetraethylcyclopentene?
3,3,5,5-tetraethylcyclopentene has a molecular weight of 180.34 g/mol, XLogP of 4.56, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5,5-tetraethylcyclopentene is sourced from PubChem (CID 141036060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).