2-ethyl-2,6-dimethyl-1,3-dioxin-4-one

C8H12O3 — CID 10534915

IUPAC2-ethyl-2,6-dimethyl-1,3-dioxin-4-one
SMILESCCC1(C)OC(=O)C=C(C)O1
InChIInChI=1S/C8H12O3/c1-4-8(3)10-6(2)5-7(9)11-8/h5H,4H2,1-3H3
InChIKeyMBIWWPKSHKFRRK-UHFFFAOYSA-N
MW156.18 g/mol
LogP1.59
Rot. Bonds1

About 2-ethyl-2,6-dimethyl-1,3-dioxin-4-one

2-ethyl-2,6-dimethyl-1,3-dioxin-4-one (PubChem CID 10534915) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is 2-ethyl-2,6-dimethyl-1,3-dioxin-4-one.

Molecular Properties

Compound Name2-ethyl-2,6-dimethyl-1,3-dioxin-4-one
PubChem CID10534915
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name2-ethyl-2,6-dimethyl-1,3-dioxin-4-one
SMILESCCC1(C)OC(=O)C=C(C)O1
InChIInChI=1S/C8H12O3/c1-4-8(3)10-6(2)5-7(9)11-8/h5H,4H2,1-3H3
InChIKeyMBIWWPKSHKFRRK-UHFFFAOYSA-N
XLogP1.59
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2,6-dimethyl-1,3-dioxin-4-one?
The IUPAC name of 2-ethyl-2,6-dimethyl-1,3-dioxin-4-one (CID 10534915) is 2-ethyl-2,6-dimethyl-1,3-dioxin-4-one.
What is the SMILES notation for 2-ethyl-2,6-dimethyl-1,3-dioxin-4-one?
The canonical SMILES for 2-ethyl-2,6-dimethyl-1,3-dioxin-4-one is CCC1(C)OC(=O)C=C(C)O1.
What is the InChIKey of 2-ethyl-2,6-dimethyl-1,3-dioxin-4-one?
The InChIKey is MBIWWPKSHKFRRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3/c1-4-8(3)10-6(2)5-7(9)11-8/h5H,4H2,1-3H3.
What are the key properties of 2-ethyl-2,6-dimethyl-1,3-dioxin-4-one?
2-ethyl-2,6-dimethyl-1,3-dioxin-4-one has a molecular weight of 156.18 g/mol, XLogP of 1.59, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2,6-dimethyl-1,3-dioxin-4-one is sourced from PubChem (CID 10534915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).