2,3-dihydro-1,4-dioxin-5-ylmethanol

C5H8O3 — CID 50990670

IUPAC2,3-dihydro-1,4-dioxin-5-ylmethanol
SMILESOCC1=COCCO1
InChIInChI=1S/C5H8O3/c6-3-5-4-7-1-2-8-5/h4,6H,1-3H2
InChIKeyLYCWDISLPDYFPO-UHFFFAOYSA-N
MW116.12 g/mol
LogP-0.13
Rot. Bonds1

About 2,3-dihydro-1,4-dioxin-5-ylmethanol

2,3-dihydro-1,4-dioxin-5-ylmethanol (PubChem CID 50990670) has the molecular formula C5H8O3 and a molecular weight of 116.12 g/mol. Its IUPAC name is 2,3-dihydro-1,4-dioxin-5-ylmethanol.

Molecular Properties

Compound Name2,3-dihydro-1,4-dioxin-5-ylmethanol
PubChem CID50990670
Molecular FormulaC5H8O3
Molecular Weight116.12 g/mol
Exact Mass116.05
IUPAC Name2,3-dihydro-1,4-dioxin-5-ylmethanol
SMILESOCC1=COCCO1
InChIInChI=1S/C5H8O3/c6-3-5-4-7-1-2-8-5/h4,6H,1-3H2
InChIKeyLYCWDISLPDYFPO-UHFFFAOYSA-N
XLogP-0.13
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.12
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,4-dioxin-5-ylmethanol?
The IUPAC name of 2,3-dihydro-1,4-dioxin-5-ylmethanol (CID 50990670) is 2,3-dihydro-1,4-dioxin-5-ylmethanol.
What is the SMILES notation for 2,3-dihydro-1,4-dioxin-5-ylmethanol?
The canonical SMILES for 2,3-dihydro-1,4-dioxin-5-ylmethanol is OCC1=COCCO1.
What is the InChIKey of 2,3-dihydro-1,4-dioxin-5-ylmethanol?
The InChIKey is LYCWDISLPDYFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O3/c6-3-5-4-7-1-2-8-5/h4,6H,1-3H2.
What are the key properties of 2,3-dihydro-1,4-dioxin-5-ylmethanol?
2,3-dihydro-1,4-dioxin-5-ylmethanol has a molecular weight of 116.12 g/mol, XLogP of -0.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1,4-dioxin-5-ylmethanol is sourced from PubChem (CID 50990670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).