3-ethyl-1,4-dioxan-2-ol

C6H12O3 — CID 175384665

IUPAC3-ethyl-1,4-dioxan-2-ol
SMILESCCC1OCCOC1O
InChIInChI=1S/C6H12O3/c1-2-5-6(7)9-4-3-8-5/h5-7H,2-4H2,1H3
InChIKeyHBXRRIZQVZQTDV-UHFFFAOYSA-N
MW132.16 g/mol
LogP0.13
Rot. Bonds1

About 3-ethyl-1,4-dioxan-2-ol

3-ethyl-1,4-dioxan-2-ol (PubChem CID 175384665) has the molecular formula C6H12O3 and a molecular weight of 132.16 g/mol. Its IUPAC name is 3-ethyl-1,4-dioxan-2-ol.

Molecular Properties

Compound Name3-ethyl-1,4-dioxan-2-ol
PubChem CID175384665
Molecular FormulaC6H12O3
Molecular Weight132.16 g/mol
Exact Mass132.08
IUPAC Name3-ethyl-1,4-dioxan-2-ol
SMILESCCC1OCCOC1O
InChIInChI=1S/C6H12O3/c1-2-5-6(7)9-4-3-8-5/h5-7H,2-4H2,1H3
InChIKeyHBXRRIZQVZQTDV-UHFFFAOYSA-N
XLogP0.13
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1,4-dioxan-2-ol?
The IUPAC name of 3-ethyl-1,4-dioxan-2-ol (CID 175384665) is 3-ethyl-1,4-dioxan-2-ol.
What is the SMILES notation for 3-ethyl-1,4-dioxan-2-ol?
The canonical SMILES for 3-ethyl-1,4-dioxan-2-ol is CCC1OCCOC1O.
What is the InChIKey of 3-ethyl-1,4-dioxan-2-ol?
The InChIKey is HBXRRIZQVZQTDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3/c1-2-5-6(7)9-4-3-8-5/h5-7H,2-4H2,1H3.
What are the key properties of 3-ethyl-1,4-dioxan-2-ol?
3-ethyl-1,4-dioxan-2-ol has a molecular weight of 132.16 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 3-ethyl-1,4-dioxan-2-ol is sourced from PubChem (CID 175384665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).