5-deuterio-3,4-dihydro-2H-pyran

C5H8O — CID 132509068

IUPAC5-deuterio-3,4-dihydro-2H-pyran
SMILES[2H]C1=COCCC1
InChIInChI=1S/C5H8O/c1-2-4-6-5-3-1/h2,4H,1,3,5H2/i2D
InChIKeyBUDQDWGNQVEFAC-VMNATFBRSA-N
MW85.12 g/mol
LogP1.31
Rot. Bonds

About 5-deuterio-3,4-dihydro-2H-pyran

5-deuterio-3,4-dihydro-2H-pyran (PubChem CID 132509068) has the molecular formula C5H8O and a molecular weight of 85.12 g/mol. Its IUPAC name is 5-deuterio-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name5-deuterio-3,4-dihydro-2H-pyran
PubChem CID132509068
Molecular FormulaC5H8O
Molecular Weight85.12 g/mol
Exact Mass85.06
IUPAC Name5-deuterio-3,4-dihydro-2H-pyran
SMILES[2H]C1=COCCC1
InChIInChI=1S/C5H8O/c1-2-4-6-5-3-1/h2,4H,1,3,5H2/i2D
InChIKeyBUDQDWGNQVEFAC-VMNATFBRSA-N
XLogP1.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50085.12
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-deuterio-3,4-dihydro-2H-pyran?
The IUPAC name of 5-deuterio-3,4-dihydro-2H-pyran (CID 132509068) is 5-deuterio-3,4-dihydro-2H-pyran.
What is the SMILES notation for 5-deuterio-3,4-dihydro-2H-pyran?
The canonical SMILES for 5-deuterio-3,4-dihydro-2H-pyran is [2H]C1=COCCC1.
What is the InChIKey of 5-deuterio-3,4-dihydro-2H-pyran?
The InChIKey is BUDQDWGNQVEFAC-VMNATFBRSA-N. The full InChI is InChI=1S/C5H8O/c1-2-4-6-5-3-1/h2,4H,1,3,5H2/i2D.
What are the key properties of 5-deuterio-3,4-dihydro-2H-pyran?
5-deuterio-3,4-dihydro-2H-pyran has a molecular weight of 85.12 g/mol, XLogP of 1.31, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-deuterio-3,4-dihydro-2H-pyran is sourced from PubChem (CID 132509068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).