1,4-dioxan-2-ol

C4H8O3 — CID 542145

IUPAC1,4-dioxan-2-ol
SMILESOC1COCCO1
InChIInChI=1S/C4H8O3/c5-4-3-6-1-2-7-4/h4-5H,1-3H2
InChIKeyRNQWXOKSUCPOFS-UHFFFAOYSA-N
MW104.11 g/mol
LogP-0.65
Rot. Bonds

About 1,4-dioxan-2-ol

1,4-dioxan-2-ol (PubChem CID 542145) has the molecular formula C4H8O3 and a molecular weight of 104.11 g/mol. Its IUPAC name is 1,4-dioxan-2-ol.

Molecular Properties

Compound Name1,4-dioxan-2-ol
PubChem CID542145
Molecular FormulaC4H8O3
Molecular Weight104.11 g/mol
Exact Mass104.05
IUPAC Name1,4-dioxan-2-ol
SMILESOC1COCCO1
InChIInChI=1S/C4H8O3/c5-4-3-6-1-2-7-4/h4-5H,1-3H2
InChIKeyRNQWXOKSUCPOFS-UHFFFAOYSA-N
XLogP-0.65
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.11
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,4-dioxan-2-ol?
The IUPAC name of 1,4-dioxan-2-ol (CID 542145) is 1,4-dioxan-2-ol.
What is the SMILES notation for 1,4-dioxan-2-ol?
The canonical SMILES for 1,4-dioxan-2-ol is OC1COCCO1.
What is the InChIKey of 1,4-dioxan-2-ol?
The InChIKey is RNQWXOKSUCPOFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O3/c5-4-3-6-1-2-7-4/h4-5H,1-3H2.
What are the key properties of 1,4-dioxan-2-ol?
1,4-dioxan-2-ol has a molecular weight of 104.11 g/mol, XLogP of -0.65, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxan-2-ol is sourced from PubChem (CID 542145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).