4H-1,3-dioxin-2-ylmethanol

C5H8O3 — CID 174652315

IUPAC4H-1,3-dioxin-2-ylmethanol
SMILESOCC1OC=CCO1
InChIInChI=1S/C5H8O3/c6-4-5-7-2-1-3-8-5/h1-2,5-6H,3-4H2
InChIKeyXOAAZRLVHNGEOI-UHFFFAOYSA-N
MW116.12 g/mol
LogP-0.13
Rot. Bonds1

About 4H-1,3-dioxin-2-ylmethanol

4H-1,3-dioxin-2-ylmethanol (PubChem CID 174652315) has the molecular formula C5H8O3 and a molecular weight of 116.12 g/mol. Its IUPAC name is 4H-1,3-dioxin-2-ylmethanol.

Molecular Properties

Compound Name4H-1,3-dioxin-2-ylmethanol
PubChem CID174652315
Molecular FormulaC5H8O3
Molecular Weight116.12 g/mol
Exact Mass116.05
IUPAC Name4H-1,3-dioxin-2-ylmethanol
SMILESOCC1OC=CCO1
InChIInChI=1S/C5H8O3/c6-4-5-7-2-1-3-8-5/h1-2,5-6H,3-4H2
InChIKeyXOAAZRLVHNGEOI-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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Related Compounds

1,3-Dioxan-5-ol, 2-ethenyl-, cis-
CID 85274
2,2-Bis(prop-2-enoxy)ethanol
CID 12692556
Ethane-1,2-diol;2-ethenyl-1,3-dioxolane
CID 17887327
1-(2-Prop-2-enoxyethoxy)ethanol
CID 19419401
1-Prop-2-enoxyethane-1,2-diol
CID 22011226
2-Ethenyl-1,3-dioxolan-4-ol
CID 54365377
1-Methoxy-2-prop-2-enoxyethanol
CID 57582960
2-Pyranyloxy ethanol
CID 66776924
2-[2-[2-[2-(2H-pyran-2-yloxy)ethoxy]ethoxy]ethoxy]ethanol
CID 67588712
2,2-dimethyl-4H-1,3-dioxin-4-ol
CID 70466682
2-Prop-2-enoxyethane-1,1-diol
CID 85654936
1-Ethoxy-2-prop-2-enoxyethanol
CID 87488342

Frequently Asked Questions

What is the IUPAC name of 4H-1,3-dioxin-2-ylmethanol?
The IUPAC name of 4H-1,3-dioxin-2-ylmethanol (CID 174652315) is 4H-1,3-dioxin-2-ylmethanol.
What is the SMILES notation for 4H-1,3-dioxin-2-ylmethanol?
The canonical SMILES for 4H-1,3-dioxin-2-ylmethanol is OCC1OC=CCO1.
What is the InChIKey of 4H-1,3-dioxin-2-ylmethanol?
The InChIKey is XOAAZRLVHNGEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O3/c6-4-5-7-2-1-3-8-5/h1-2,5-6H,3-4H2.
What are the key properties of 4H-1,3-dioxin-2-ylmethanol?
4H-1,3-dioxin-2-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 4H-1,3-dioxin-2-ylmethanol is sourced from PubChem (CID 174652315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).