ethane;2-ethyl-1,4-dioxane

C10H24O2 — CID 170734415

IUPACethane;2-ethyl-1,4-dioxane
SMILESCC.CC.CCC1COCCO1
InChIInChI=1S/C6H12O2.2C2H6/c1-2-6-5-7-3-4-8-6;2*1-2/h6H,2-5H2,1H3;2*1-2H3
InChIKeyGPNZSVZJZCAWNA-UHFFFAOYSA-N
MW176.30 g/mol
LogP2.86
Rot. Bonds1

About ethane;2-ethyl-1,4-dioxane

ethane;2-ethyl-1,4-dioxane (PubChem CID 170734415) has the molecular formula C10H24O2 and a molecular weight of 176.30 g/mol. Its IUPAC name is ethane;2-ethyl-1,4-dioxane.

Molecular Properties

Compound Nameethane;2-ethyl-1,4-dioxane
PubChem CID170734415
Molecular FormulaC10H24O2
Molecular Weight176.30 g/mol
Exact Mass176.18
IUPAC Nameethane;2-ethyl-1,4-dioxane
SMILESCC.CC.CCC1COCCO1
InChIInChI=1S/C6H12O2.2C2H6/c1-2-6-5-7-3-4-8-6;2*1-2/h6H,2-5H2,1H3;2*1-2H3
InChIKeyGPNZSVZJZCAWNA-UHFFFAOYSA-N
XLogP2.86
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.30
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;2-ethyl-1,4-dioxane?
The IUPAC name of ethane;2-ethyl-1,4-dioxane (CID 170734415) is ethane;2-ethyl-1,4-dioxane.
What is the SMILES notation for ethane;2-ethyl-1,4-dioxane?
The canonical SMILES for ethane;2-ethyl-1,4-dioxane is CC.CC.CCC1COCCO1.
What is the InChIKey of ethane;2-ethyl-1,4-dioxane?
The InChIKey is GPNZSVZJZCAWNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2.2C2H6/c1-2-6-5-7-3-4-8-6;2*1-2/h6H,2-5H2,1H3;2*1-2H3.
What are the key properties of ethane;2-ethyl-1,4-dioxane?
ethane;2-ethyl-1,4-dioxane has a molecular weight of 176.30 g/mol, XLogP of 2.86, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethyl-1,4-dioxane is sourced from PubChem (CID 170734415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).