3,4-dihydro-2H-pyran-2,3-diol

C5H8O3 — CID 67747225

IUPAC3,4-dihydro-2H-pyran-2,3-diol
SMILESOC1CC=COC1O
InChIInChI=1S/C5H8O3/c6-4-2-1-3-8-5(4)7/h1,3-7H,2H2
InChIKeyWMROTCBYSXCWQN-UHFFFAOYSA-N
MW116.12 g/mol
LogP-0.40
Rot. Bonds

About 3,4-dihydro-2H-pyran-2,3-diol

3,4-dihydro-2H-pyran-2,3-diol (PubChem CID 67747225) has the molecular formula C5H8O3 and a molecular weight of 116.12 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyran-2,3-diol.

Molecular Properties

Compound Name3,4-dihydro-2H-pyran-2,3-diol
PubChem CID67747225
Molecular FormulaC5H8O3
Molecular Weight116.12 g/mol
Exact Mass116.05
IUPAC Name3,4-dihydro-2H-pyran-2,3-diol
SMILESOC1CC=COC1O
InChIInChI=1S/C5H8O3/c6-4-2-1-3-8-5(4)7/h1,3-7H,2H2
InChIKeyWMROTCBYSXCWQN-UHFFFAOYSA-N
XLogP-0.40
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.12
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyran-2,3-diol?
The IUPAC name of 3,4-dihydro-2H-pyran-2,3-diol (CID 67747225) is 3,4-dihydro-2H-pyran-2,3-diol.
What is the SMILES notation for 3,4-dihydro-2H-pyran-2,3-diol?
The canonical SMILES for 3,4-dihydro-2H-pyran-2,3-diol is OC1CC=COC1O.
What is the InChIKey of 3,4-dihydro-2H-pyran-2,3-diol?
The InChIKey is WMROTCBYSXCWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O3/c6-4-2-1-3-8-5(4)7/h1,3-7H,2H2.
What are the key properties of 3,4-dihydro-2H-pyran-2,3-diol?
3,4-dihydro-2H-pyran-2,3-diol has a molecular weight of 116.12 g/mol, XLogP of -0.40, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-pyran-2,3-diol is sourced from PubChem (CID 67747225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).