2,3-diethyl-5-methyl-2,3-dihydro-1,4-dioxine

C9H16O2 — CID 20589309

IUPAC2,3-diethyl-5-methyl-2,3-dihydro-1,4-dioxine
SMILESCCC1OC=C(C)OC1CC
InChIInChI=1S/C9H16O2/c1-4-8-9(5-2)11-7(3)6-10-8/h6,8-9H,4-5H2,1-3H3
InChIKeyCYNZEJMVDXOUIB-UHFFFAOYSA-N
MW156.22 g/mol
LogP2.45
Rot. Bonds2

About 2,3-diethyl-5-methyl-2,3-dihydro-1,4-dioxine

2,3-diethyl-5-methyl-2,3-dihydro-1,4-dioxine (PubChem CID 20589309) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 2,3-diethyl-5-methyl-2,3-dihydro-1,4-dioxine.

Molecular Properties

Compound Name2,3-diethyl-5-methyl-2,3-dihydro-1,4-dioxine
PubChem CID20589309
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name2,3-diethyl-5-methyl-2,3-dihydro-1,4-dioxine
SMILESCCC1OC=C(C)OC1CC
InChIInChI=1S/C9H16O2/c1-4-8-9(5-2)11-7(3)6-10-8/h6,8-9H,4-5H2,1-3H3
InChIKeyCYNZEJMVDXOUIB-UHFFFAOYSA-N
XLogP2.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-diethyl-5-methyl-2,3-dihydro-1,4-dioxine?
The IUPAC name of 2,3-diethyl-5-methyl-2,3-dihydro-1,4-dioxine (CID 20589309) is 2,3-diethyl-5-methyl-2,3-dihydro-1,4-dioxine.
What is the SMILES notation for 2,3-diethyl-5-methyl-2,3-dihydro-1,4-dioxine?
The canonical SMILES for 2,3-diethyl-5-methyl-2,3-dihydro-1,4-dioxine is CCC1OC=C(C)OC1CC.
What is the InChIKey of 2,3-diethyl-5-methyl-2,3-dihydro-1,4-dioxine?
The InChIKey is CYNZEJMVDXOUIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-4-8-9(5-2)11-7(3)6-10-8/h6,8-9H,4-5H2,1-3H3.
What are the key properties of 2,3-diethyl-5-methyl-2,3-dihydro-1,4-dioxine?
2,3-diethyl-5-methyl-2,3-dihydro-1,4-dioxine has a molecular weight of 156.22 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diethyl-5-methyl-2,3-dihydro-1,4-dioxine is sourced from PubChem (CID 20589309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).