6-(furan-2-yl)-2,2-dimethyl-1,3-dioxin-4-one

C10H10O4 — CID 53466014

IUPAC6-(furan-2-yl)-2,2-dimethyl-1,3-dioxin-4-one
SMILESCC1(C)OC(=O)C=C(c2ccco2)O1
InChIInChI=1S/C10H10O4/c1-10(2)13-8(6-9(11)14-10)7-4-3-5-12-7/h3-6H,1-2H3
InChIKeyFWALFXXMQLKUHK-UHFFFAOYSA-N
MW194.19 g/mol
LogP1.93
Rot. Bonds1

About 6-(furan-2-yl)-2,2-dimethyl-1,3-dioxin-4-one

6-(furan-2-yl)-2,2-dimethyl-1,3-dioxin-4-one (PubChem CID 53466014) has the molecular formula C10H10O4 and a molecular weight of 194.19 g/mol. Its IUPAC name is 6-(furan-2-yl)-2,2-dimethyl-1,3-dioxin-4-one.

Molecular Properties

Compound Name6-(furan-2-yl)-2,2-dimethyl-1,3-dioxin-4-one
PubChem CID53466014
Molecular FormulaC10H10O4
Molecular Weight194.19 g/mol
Exact Mass194.06
IUPAC Name6-(furan-2-yl)-2,2-dimethyl-1,3-dioxin-4-one
SMILESCC1(C)OC(=O)C=C(c2ccco2)O1
InChIInChI=1S/C10H10O4/c1-10(2)13-8(6-9(11)14-10)7-4-3-5-12-7/h3-6H,1-2H3
InChIKeyFWALFXXMQLKUHK-UHFFFAOYSA-N
XLogP1.93
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(furan-2-yl)-2,2-dimethyl-1,3-dioxin-4-one?
The IUPAC name of 6-(furan-2-yl)-2,2-dimethyl-1,3-dioxin-4-one (CID 53466014) is 6-(furan-2-yl)-2,2-dimethyl-1,3-dioxin-4-one.
What is the SMILES notation for 6-(furan-2-yl)-2,2-dimethyl-1,3-dioxin-4-one?
The canonical SMILES for 6-(furan-2-yl)-2,2-dimethyl-1,3-dioxin-4-one is CC1(C)OC(=O)C=C(c2ccco2)O1.
What is the InChIKey of 6-(furan-2-yl)-2,2-dimethyl-1,3-dioxin-4-one?
The InChIKey is FWALFXXMQLKUHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O4/c1-10(2)13-8(6-9(11)14-10)7-4-3-5-12-7/h3-6H,1-2H3.
What are the key properties of 6-(furan-2-yl)-2,2-dimethyl-1,3-dioxin-4-one?
6-(furan-2-yl)-2,2-dimethyl-1,3-dioxin-4-one has a molecular weight of 194.19 g/mol, XLogP of 1.93, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-2-yl)-2,2-dimethyl-1,3-dioxin-4-one is sourced from PubChem (CID 53466014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).