3,3,5,5-tetramethylcyclopentene

C9H16 — CID 520917

IUPAC3,3,5,5-tetramethylcyclopentene
SMILESCC1(C)C=CC(C)(C)C1
InChIInChI=1S/C9H16/c1-8(2)5-6-9(3,4)7-8/h5-6H,7H2,1-4H3
InChIKeyFCJMCOVEXBZEMH-UHFFFAOYSA-N
MW124.23 g/mol
LogP3.00
Rot. Bonds

About 3,3,5,5-tetramethylcyclopentene

3,3,5,5-tetramethylcyclopentene (PubChem CID 520917) has the molecular formula C9H16 and a molecular weight of 124.23 g/mol. Its IUPAC name is 3,3,5,5-tetramethylcyclopentene.

Molecular Properties

Compound Name3,3,5,5-tetramethylcyclopentene
PubChem CID520917
Molecular FormulaC9H16
Molecular Weight124.23 g/mol
Exact Mass124.13
IUPAC Name3,3,5,5-tetramethylcyclopentene
SMILESCC1(C)C=CC(C)(C)C1
InChIInChI=1S/C9H16/c1-8(2)5-6-9(3,4)7-8/h5-6H,7H2,1-4H3
InChIKeyFCJMCOVEXBZEMH-UHFFFAOYSA-N
XLogP3.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.23
LogP ≤ 53.00
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-tetramethylcyclopentene?
The IUPAC name of 3,3,5,5-tetramethylcyclopentene (CID 520917) is 3,3,5,5-tetramethylcyclopentene.
What is the SMILES notation for 3,3,5,5-tetramethylcyclopentene?
The canonical SMILES for 3,3,5,5-tetramethylcyclopentene is CC1(C)C=CC(C)(C)C1.
What is the InChIKey of 3,3,5,5-tetramethylcyclopentene?
The InChIKey is FCJMCOVEXBZEMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16/c1-8(2)5-6-9(3,4)7-8/h5-6H,7H2,1-4H3.
What are the key properties of 3,3,5,5-tetramethylcyclopentene?
3,3,5,5-tetramethylcyclopentene has a molecular weight of 124.23 g/mol, XLogP of 3.00, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5,5-tetramethylcyclopentene is sourced from PubChem (CID 520917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).