3,5-dimethylcyclopentene

C7H12 — CID 522549

IUPAC3,5-dimethylcyclopentene
SMILESCC1C=CC(C)C1
InChIInChI=1S/C7H12/c1-6-3-4-7(2)5-6/h3-4,6-7H,5H2,1-2H3
InChIKeyPUPAPFTXLYVYPX-UHFFFAOYSA-N
MW96.17 g/mol
LogP2.22
Rot. Bonds

About 3,5-dimethylcyclopentene

3,5-dimethylcyclopentene (PubChem CID 522549) has the molecular formula C7H12 and a molecular weight of 96.17 g/mol. Its IUPAC name is 3,5-dimethylcyclopentene.

Molecular Properties

Compound Name3,5-dimethylcyclopentene
PubChem CID522549
Molecular FormulaC7H12
Molecular Weight96.17 g/mol
Exact Mass96.09
IUPAC Name3,5-dimethylcyclopentene
SMILESCC1C=CC(C)C1
InChIInChI=1S/C7H12/c1-6-3-4-7(2)5-6/h3-4,6-7H,5H2,1-2H3
InChIKeyPUPAPFTXLYVYPX-UHFFFAOYSA-N
XLogP2.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.17
LogP ≤ 52.22
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 3,5-dimethylcyclopentene?
The IUPAC name of 3,5-dimethylcyclopentene (CID 522549) is 3,5-dimethylcyclopentene.
What is the SMILES notation for 3,5-dimethylcyclopentene?
The canonical SMILES for 3,5-dimethylcyclopentene is CC1C=CC(C)C1.
What is the InChIKey of 3,5-dimethylcyclopentene?
The InChIKey is PUPAPFTXLYVYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12/c1-6-3-4-7(2)5-6/h3-4,6-7H,5H2,1-2H3.
What are the key properties of 3,5-dimethylcyclopentene?
3,5-dimethylcyclopentene has a molecular weight of 96.17 g/mol, XLogP of 2.22, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethylcyclopentene is sourced from PubChem (CID 522549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).