2,2,6-triethyl-1,3-dioxin-4-one

C10H16O3 — CID 19350258

IUPAC2,2,6-triethyl-1,3-dioxin-4-one
SMILESCCC1=CC(=O)OC(CC)(CC)O1
InChIInChI=1S/C10H16O3/c1-4-8-7-9(11)13-10(5-2,6-3)12-8/h7H,4-6H2,1-3H3
InChIKeyIQPINWFJWRBQRY-UHFFFAOYSA-N
MW184.23 g/mol
LogP2.37
Rot. Bonds3

About 2,2,6-triethyl-1,3-dioxin-4-one

2,2,6-triethyl-1,3-dioxin-4-one (PubChem CID 19350258) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is 2,2,6-triethyl-1,3-dioxin-4-one.

Molecular Properties

Compound Name2,2,6-triethyl-1,3-dioxin-4-one
PubChem CID19350258
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name2,2,6-triethyl-1,3-dioxin-4-one
SMILESCCC1=CC(=O)OC(CC)(CC)O1
InChIInChI=1S/C10H16O3/c1-4-8-7-9(11)13-10(5-2,6-3)12-8/h7H,4-6H2,1-3H3
InChIKeyIQPINWFJWRBQRY-UHFFFAOYSA-N
XLogP2.37
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,6-triethyl-1,3-dioxin-4-one?
The IUPAC name of 2,2,6-triethyl-1,3-dioxin-4-one (CID 19350258) is 2,2,6-triethyl-1,3-dioxin-4-one.
What is the SMILES notation for 2,2,6-triethyl-1,3-dioxin-4-one?
The canonical SMILES for 2,2,6-triethyl-1,3-dioxin-4-one is CCC1=CC(=O)OC(CC)(CC)O1.
What is the InChIKey of 2,2,6-triethyl-1,3-dioxin-4-one?
The InChIKey is IQPINWFJWRBQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-4-8-7-9(11)13-10(5-2,6-3)12-8/h7H,4-6H2,1-3H3.
What are the key properties of 2,2,6-triethyl-1,3-dioxin-4-one?
2,2,6-triethyl-1,3-dioxin-4-one has a molecular weight of 184.23 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6-triethyl-1,3-dioxin-4-one is sourced from PubChem (CID 19350258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).