3,5-dideuteriocyclopentene

C5H8 — CID 172760371

IUPAC3,5-dideuteriocyclopentene
SMILES[2H]C1C=CC([2H])C1
InChIInChI=1S/C5H8/c1-2-4-5-3-1/h1-2H,3-5H2/i3D,4D
InChIKeyLPIQUOYDBNQMRZ-NMQOAUCRSA-N
MW70.13 g/mol
LogP1.73
Rot. Bonds

About 3,5-dideuteriocyclopentene

3,5-dideuteriocyclopentene (PubChem CID 172760371) has the molecular formula C5H8 and a molecular weight of 70.13 g/mol. Its IUPAC name is 3,5-dideuteriocyclopentene.

Molecular Properties

Compound Name3,5-dideuteriocyclopentene
PubChem CID172760371
Molecular FormulaC5H8
Molecular Weight70.13 g/mol
Exact Mass70.08
IUPAC Name3,5-dideuteriocyclopentene
SMILES[2H]C1C=CC([2H])C1
InChIInChI=1S/C5H8/c1-2-4-5-3-1/h1-2H,3-5H2/i3D,4D
InChIKeyLPIQUOYDBNQMRZ-NMQOAUCRSA-N
XLogP1.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50070.13
LogP ≤ 51.73
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-dideuteriocyclopentene?
The IUPAC name of 3,5-dideuteriocyclopentene (CID 172760371) is 3,5-dideuteriocyclopentene.
What is the SMILES notation for 3,5-dideuteriocyclopentene?
The canonical SMILES for 3,5-dideuteriocyclopentene is [2H]C1C=CC([2H])C1.
What is the InChIKey of 3,5-dideuteriocyclopentene?
The InChIKey is LPIQUOYDBNQMRZ-NMQOAUCRSA-N. The full InChI is InChI=1S/C5H8/c1-2-4-5-3-1/h1-2H,3-5H2/i3D,4D.
What are the key properties of 3,5-dideuteriocyclopentene?
3,5-dideuteriocyclopentene has a molecular weight of 70.13 g/mol, XLogP of 1.73, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dideuteriocyclopentene is sourced from PubChem (CID 172760371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).