2,6-diethyl-2-methyl-1,4-dioxepane

C10H20O2 — CID 143642366

IUPAC2,6-diethyl-2-methyl-1,4-dioxepane
SMILESCCC1COCC(C)(CC)OC1
InChIInChI=1S/C10H20O2/c1-4-9-6-11-8-10(3,5-2)12-7-9/h9H,4-8H2,1-3H3
InChIKeyZHLVVIAKZRGGLG-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.23
Rot. Bonds2

About 2,6-diethyl-2-methyl-1,4-dioxepane

2,6-diethyl-2-methyl-1,4-dioxepane (PubChem CID 143642366) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 2,6-diethyl-2-methyl-1,4-dioxepane.

Molecular Properties

Compound Name2,6-diethyl-2-methyl-1,4-dioxepane
PubChem CID143642366
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name2,6-diethyl-2-methyl-1,4-dioxepane
SMILESCCC1COCC(C)(CC)OC1
InChIInChI=1S/C10H20O2/c1-4-9-6-11-8-10(3,5-2)12-7-9/h9H,4-8H2,1-3H3
InChIKeyZHLVVIAKZRGGLG-UHFFFAOYSA-N
XLogP2.23
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-diethyl-2-methyl-1,4-dioxepane?
The IUPAC name of 2,6-diethyl-2-methyl-1,4-dioxepane (CID 143642366) is 2,6-diethyl-2-methyl-1,4-dioxepane.
What is the SMILES notation for 2,6-diethyl-2-methyl-1,4-dioxepane?
The canonical SMILES for 2,6-diethyl-2-methyl-1,4-dioxepane is CCC1COCC(C)(CC)OC1.
What is the InChIKey of 2,6-diethyl-2-methyl-1,4-dioxepane?
The InChIKey is ZHLVVIAKZRGGLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-4-9-6-11-8-10(3,5-2)12-7-9/h9H,4-8H2,1-3H3.
What are the key properties of 2,6-diethyl-2-methyl-1,4-dioxepane?
2,6-diethyl-2-methyl-1,4-dioxepane has a molecular weight of 172.27 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diethyl-2-methyl-1,4-dioxepane is sourced from PubChem (CID 143642366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).