2,3,4,5,6-pentadeuterio-3,6-dihydro-2H-pyran

C5H8O — CID 18664105

IUPAC2,3,4,5,6-pentadeuterio-3,6-dihydro-2H-pyran
SMILES[2H]C1=C([2H])C([2H])C([2H])OC1[2H]
InChIInChI=1S/C5H8O/c1-2-4-6-5-3-1/h1-2H,3-5H2/i1D,2D,3D,4D,5D
InChIKeyMUGSKSNNEORSJG-RALIUCGRSA-N
MW89.15 g/mol
LogP0.96
Rot. Bonds

About 2,3,4,5,6-pentadeuterio-3,6-dihydro-2H-pyran

2,3,4,5,6-pentadeuterio-3,6-dihydro-2H-pyran (PubChem CID 18664105) has the molecular formula C5H8O and a molecular weight of 89.15 g/mol. Its IUPAC name is 2,3,4,5,6-pentadeuterio-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name2,3,4,5,6-pentadeuterio-3,6-dihydro-2H-pyran
PubChem CID18664105
Molecular FormulaC5H8O
Molecular Weight89.15 g/mol
Exact Mass89.09
IUPAC Name2,3,4,5,6-pentadeuterio-3,6-dihydro-2H-pyran
SMILES[2H]C1=C([2H])C([2H])C([2H])OC1[2H]
InChIInChI=1S/C5H8O/c1-2-4-6-5-3-1/h1-2H,3-5H2/i1D,2D,3D,4D,5D
InChIKeyMUGSKSNNEORSJG-RALIUCGRSA-N
XLogP0.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50089.15
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 2,3,4,5,6-pentadeuterio-3,6-dihydro-2H-pyran?
The IUPAC name of 2,3,4,5,6-pentadeuterio-3,6-dihydro-2H-pyran (CID 18664105) is 2,3,4,5,6-pentadeuterio-3,6-dihydro-2H-pyran.
What is the SMILES notation for 2,3,4,5,6-pentadeuterio-3,6-dihydro-2H-pyran?
The canonical SMILES for 2,3,4,5,6-pentadeuterio-3,6-dihydro-2H-pyran is [2H]C1=C([2H])C([2H])C([2H])OC1[2H].
What is the InChIKey of 2,3,4,5,6-pentadeuterio-3,6-dihydro-2H-pyran?
The InChIKey is MUGSKSNNEORSJG-RALIUCGRSA-N. The full InChI is InChI=1S/C5H8O/c1-2-4-6-5-3-1/h1-2H,3-5H2/i1D,2D,3D,4D,5D.
What are the key properties of 2,3,4,5,6-pentadeuterio-3,6-dihydro-2H-pyran?
2,3,4,5,6-pentadeuterio-3,6-dihydro-2H-pyran has a molecular weight of 89.15 g/mol, XLogP of 0.96, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6-pentadeuterio-3,6-dihydro-2H-pyran is sourced from PubChem (CID 18664105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).