[5-ethyl-2-(furan-2-yl)-1,3-dioxan-5-yl]methanol

C11H16O4 — CID 566076

IUPAC[5-ethyl-2-(furan-2-yl)-1,3-dioxan-5-yl]methanol
SMILESCCC1(CO)COC(c2ccco2)OC1
InChIInChI=1S/C11H16O4/c1-2-11(6-12)7-14-10(15-8-11)9-4-3-5-13-9/h3-5,10,12H,2,6-8H2,1H3
InChIKeyYKAFXJZVYUOEIY-UHFFFAOYSA-N
MW212.25 g/mol
LogP1.71
Rot. Bonds3

About [5-ethyl-2-(furan-2-yl)-1,3-dioxan-5-yl]methanol

[5-ethyl-2-(furan-2-yl)-1,3-dioxan-5-yl]methanol (PubChem CID 566076) has the molecular formula C11H16O4 and a molecular weight of 212.25 g/mol. Its IUPAC name is [5-ethyl-2-(furan-2-yl)-1,3-dioxan-5-yl]methanol.

Molecular Properties

Compound Name[5-ethyl-2-(furan-2-yl)-1,3-dioxan-5-yl]methanol
PubChem CID566076
Molecular FormulaC11H16O4
Molecular Weight212.25 g/mol
Exact Mass212.10
IUPAC Name[5-ethyl-2-(furan-2-yl)-1,3-dioxan-5-yl]methanol
SMILESCCC1(CO)COC(c2ccco2)OC1
InChIInChI=1S/C11H16O4/c1-2-11(6-12)7-14-10(15-8-11)9-4-3-5-13-9/h3-5,10,12H,2,6-8H2,1H3
InChIKeyYKAFXJZVYUOEIY-UHFFFAOYSA-N
XLogP1.71
TPSA51.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-ethyl-2-(furan-2-yl)-1,3-dioxan-5-yl]methanol?
The IUPAC name of [5-ethyl-2-(furan-2-yl)-1,3-dioxan-5-yl]methanol (CID 566076) is [5-ethyl-2-(furan-2-yl)-1,3-dioxan-5-yl]methanol.
What is the SMILES notation for [5-ethyl-2-(furan-2-yl)-1,3-dioxan-5-yl]methanol?
The canonical SMILES for [5-ethyl-2-(furan-2-yl)-1,3-dioxan-5-yl]methanol is CCC1(CO)COC(c2ccco2)OC1.
What is the InChIKey of [5-ethyl-2-(furan-2-yl)-1,3-dioxan-5-yl]methanol?
The InChIKey is YKAFXJZVYUOEIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4/c1-2-11(6-12)7-14-10(15-8-11)9-4-3-5-13-9/h3-5,10,12H,2,6-8H2,1H3.
What are the key properties of [5-ethyl-2-(furan-2-yl)-1,3-dioxan-5-yl]methanol?
[5-ethyl-2-(furan-2-yl)-1,3-dioxan-5-yl]methanol has a molecular weight of 212.25 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-ethyl-2-(furan-2-yl)-1,3-dioxan-5-yl]methanol is sourced from PubChem (CID 566076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).