5-ethyl-2,2,5-trimethyl-1,3-dioxane

C9H18O2 — CID 15363609

IUPAC5-ethyl-2,2,5-trimethyl-1,3-dioxane
SMILESCCC1(C)COC(C)(C)OC1
InChIInChI=1S/C9H18O2/c1-5-9(4)6-10-8(2,3)11-7-9/h5-7H2,1-4H3
InChIKeyASCMNVZPVSEWBB-UHFFFAOYSA-N
MW158.24 g/mol
LogP2.19
Rot. Bonds1

About 5-ethyl-2,2,5-trimethyl-1,3-dioxane

5-ethyl-2,2,5-trimethyl-1,3-dioxane (PubChem CID 15363609) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is 5-ethyl-2,2,5-trimethyl-1,3-dioxane.

Molecular Properties

Compound Name5-ethyl-2,2,5-trimethyl-1,3-dioxane
PubChem CID15363609
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name5-ethyl-2,2,5-trimethyl-1,3-dioxane
SMILESCCC1(C)COC(C)(C)OC1
InChIInChI=1S/C9H18O2/c1-5-9(4)6-10-8(2,3)11-7-9/h5-7H2,1-4H3
InChIKeyASCMNVZPVSEWBB-UHFFFAOYSA-N
XLogP2.19
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2,2,5-trimethyl-1,3-dioxane?
The IUPAC name of 5-ethyl-2,2,5-trimethyl-1,3-dioxane (CID 15363609) is 5-ethyl-2,2,5-trimethyl-1,3-dioxane.
What is the SMILES notation for 5-ethyl-2,2,5-trimethyl-1,3-dioxane?
The canonical SMILES for 5-ethyl-2,2,5-trimethyl-1,3-dioxane is CCC1(C)COC(C)(C)OC1.
What is the InChIKey of 5-ethyl-2,2,5-trimethyl-1,3-dioxane?
The InChIKey is ASCMNVZPVSEWBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2/c1-5-9(4)6-10-8(2,3)11-7-9/h5-7H2,1-4H3.
What are the key properties of 5-ethyl-2,2,5-trimethyl-1,3-dioxane?
5-ethyl-2,2,5-trimethyl-1,3-dioxane has a molecular weight of 158.24 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2,2,5-trimethyl-1,3-dioxane is sourced from PubChem (CID 15363609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).