1-(1,4-dioxan-2-yl)ethanol

C6H12O3 — CID 57186415

IUPAC1-(1,4-dioxan-2-yl)ethanol
SMILESCC(O)C1COCCO1
InChIInChI=1S/C6H12O3/c1-5(7)6-4-8-2-3-9-6/h5-7H,2-4H2,1H3
InChIKeyRZHOKKNAPROOJQ-UHFFFAOYSA-N
MW132.16 g/mol
LogP-0.22
Rot. Bonds1

About 1-(1,4-dioxan-2-yl)ethanol

1-(1,4-dioxan-2-yl)ethanol (PubChem CID 57186415) has the molecular formula C6H12O3 and a molecular weight of 132.16 g/mol. Its IUPAC name is 1-(1,4-dioxan-2-yl)ethanol.

Molecular Properties

Compound Name1-(1,4-dioxan-2-yl)ethanol
PubChem CID57186415
Molecular FormulaC6H12O3
Molecular Weight132.16 g/mol
Exact Mass132.08
IUPAC Name1-(1,4-dioxan-2-yl)ethanol
SMILESCC(O)C1COCCO1
InChIInChI=1S/C6H12O3/c1-5(7)6-4-8-2-3-9-6/h5-7H,2-4H2,1H3
InChIKeyRZHOKKNAPROOJQ-UHFFFAOYSA-N
XLogP-0.22
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 ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,4-dioxan-2-yl)-3-hydroxybutanoic acid
CID 91331906
1-(1,4-dioxan-2-yl)-3-methyl-2-propan-2-ylbutan-1-amine
CID 68856315
1-(1,4-dioxan-2-yl)-3-methylbut-3-en-1-ol
CID 115277790
1,4-dioxan-2-yl(oxolan-3-yl)methanol
CID 65350803
2-methyloxirane;oxirane;propan-2-ol
CID 22467713
2-cyclopropyl-1-(1,4-dioxan-2-yl)ethanol
CID 65350652
2-(1-isothiocyanatoethyl)-1,4-dioxane
CID 134523073
1-(1,4-dioxan-2-yl)but-3-yn-1-ol
CID 65351176
1,4-dioxan-2-yl(phenyl)methanol
CID 62803674
1-(1,4-dioxan-2-yl)-2-(oxan-4-yl)ethanol
CID 65351024
2-cyclobutyl-1-(1,4-dioxan-2-yl)ethanol
CID 65457188
1-(1,4-dioxan-2-yl)pent-4-en-1-ol
CID 65350592

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxan-2-yl)ethanol?
The IUPAC name of 1-(1,4-dioxan-2-yl)ethanol (CID 57186415) is 1-(1,4-dioxan-2-yl)ethanol.
What is the SMILES notation for 1-(1,4-dioxan-2-yl)ethanol?
The canonical SMILES for 1-(1,4-dioxan-2-yl)ethanol is CC(O)C1COCCO1.
What is the InChIKey of 1-(1,4-dioxan-2-yl)ethanol?
The InChIKey is RZHOKKNAPROOJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3/c1-5(7)6-4-8-2-3-9-6/h5-7H,2-4H2,1H3.
What are the key properties of 1-(1,4-dioxan-2-yl)ethanol?
1-(1,4-dioxan-2-yl)ethanol has a molecular weight of 132.16 g/mol, XLogP of -0.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxan-2-yl)ethanol is sourced from PubChem (CID 57186415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).