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

C11H20O4 — CID 65351024

IUPAC1-(1,4-dioxan-2-yl)-2-(oxan-4-yl)ethanol
SMILESOC(CC1CCOCC1)C1COCCO1
InChIInChI=1S/C11H20O4/c12-10(11-8-14-5-6-15-11)7-9-1-3-13-4-2-9/h9-12H,1-8H2
InChIKeyFBONRSJVAKKGJR-UHFFFAOYSA-N
MW216.28 g/mol
LogP0.58
Rot. Bonds3

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

1-(1,4-dioxan-2-yl)-2-(oxan-4-yl)ethanol (PubChem CID 65351024) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is 1-(1,4-dioxan-2-yl)-2-(oxan-4-yl)ethanol.

Molecular Properties

Compound Name1-(1,4-dioxan-2-yl)-2-(oxan-4-yl)ethanol
PubChem CID65351024
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Name1-(1,4-dioxan-2-yl)-2-(oxan-4-yl)ethanol
SMILESOC(CC1CCOCC1)C1COCCO1
InChIInChI=1S/C11H20O4/c12-10(11-8-14-5-6-15-11)7-9-1-3-13-4-2-9/h9-12H,1-8H2
InChIKeyFBONRSJVAKKGJR-UHFFFAOYSA-N
XLogP0.58
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-1-(1,4-dioxan-2-yl)ethanol
CID 65350652
2-cyclobutyl-1-(1,4-dioxan-2-yl)ethanol
CID 65457188
1,4-dioxan-2-yl(oxolan-3-yl)methanol
CID 65350803
1-(1,4-dioxan-2-yl)pent-4-en-1-ol
CID 65350592
1-(1,4-dioxan-2-yl)but-3-yn-1-ol
CID 65351176
1-(1,4-dioxan-2-yl)-3-methylbut-3-en-1-ol
CID 115277790
1-(3-methyloxolan-2-yl)-2-(oxan-4-yl)ethanol
CID 115789660
1-(1,4-dioxan-2-yl)ethanol
CID 57186415
1-(1,4-dioxan-2-yl)-5,5,5-trifluoropentan-1-ol
CID 112703961
1-(3-methyloxolan-2-yl)-2-(oxolan-3-yl)ethanol
CID 130791848
1-(1,4-dioxan-2-yl)-2-phenylethanol
CID 57153812
1-cyclopentyl-3-(oxan-4-yl)propan-2-ol
CID 115789647

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxan-2-yl)-2-(oxan-4-yl)ethanol?
The IUPAC name of 1-(1,4-dioxan-2-yl)-2-(oxan-4-yl)ethanol (CID 65351024) is 1-(1,4-dioxan-2-yl)-2-(oxan-4-yl)ethanol.
What is the SMILES notation for 1-(1,4-dioxan-2-yl)-2-(oxan-4-yl)ethanol?
The canonical SMILES for 1-(1,4-dioxan-2-yl)-2-(oxan-4-yl)ethanol is OC(CC1CCOCC1)C1COCCO1.
What is the InChIKey of 1-(1,4-dioxan-2-yl)-2-(oxan-4-yl)ethanol?
The InChIKey is FBONRSJVAKKGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O4/c12-10(11-8-14-5-6-15-11)7-9-1-3-13-4-2-9/h9-12H,1-8H2.
What are the key properties of 1-(1,4-dioxan-2-yl)-2-(oxan-4-yl)ethanol?
1-(1,4-dioxan-2-yl)-2-(oxan-4-yl)ethanol has a molecular weight of 216.28 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxan-2-yl)-2-(oxan-4-yl)ethanol is sourced from PubChem (CID 65351024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).