3,5-dihydro-2H-1,4-dioxepine

C5H8O2 — CID 536111

IUPAC3,5-dihydro-2H-1,4-dioxepine
SMILESC1=COCCOC1
InChIInChI=1S/C5H8O2/c1-2-6-4-5-7-3-1/h1-2H,3-5H2
InChIKeyAXJZXZDPYXAJHY-UHFFFAOYSA-N
MW100.12 g/mol
LogP0.55
Rot. Bonds

About 3,5-dihydro-2H-1,4-dioxepine

3,5-dihydro-2H-1,4-dioxepine (PubChem CID 536111) has the molecular formula C5H8O2 and a molecular weight of 100.12 g/mol. Its IUPAC name is 3,5-dihydro-2H-1,4-dioxepine.

Molecular Properties

Compound Name3,5-dihydro-2H-1,4-dioxepine
PubChem CID536111
Molecular FormulaC5H8O2
Molecular Weight100.12 g/mol
Exact Mass100.05
IUPAC Name3,5-dihydro-2H-1,4-dioxepine
SMILESC1=COCCOC1
InChIInChI=1S/C5H8O2/c1-2-6-4-5-7-3-1/h1-2H,3-5H2
InChIKeyAXJZXZDPYXAJHY-UHFFFAOYSA-N
XLogP0.55
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.12
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Ethylene glycol diallyl ether
CID 24151
3-(2-Methoxyethoxy)prop-1-ene
CID 639880
5H-1,4-Dioxepin, 2,3-dihydro-5-methyl-
CID 287961
2,3-Dihydro-2,5-dimethyl-5H-1,4-dioxepin
CID 287964
1-Allyloxy-2-vinyloxyethane
CID 11400776
(E)-1,3-diethoxyprop-1-ene
CID 13426090
1,5-Dioxepine
CID 22222152
3-(2-Ethoxyethoxy)prop-1-ene
CID 12389652
2-(Allyloxymethyl)-2,3-dihydro-5h-1,4-dioxepine
CID 129741917
Allyloxymethyl-1,4-dioxine
CID 129742517
7-Methyl-2,3-dihydro-5H-1,4-dioxepine
CID 536093
3-{2-[2-(Ethenyloxy)ethoxy]ethoxy}prop-1-ene
CID 12772297

Frequently Asked Questions

What is the IUPAC name of 3,5-dihydro-2H-1,4-dioxepine?
The IUPAC name of 3,5-dihydro-2H-1,4-dioxepine (CID 536111) is 3,5-dihydro-2H-1,4-dioxepine.
What is the SMILES notation for 3,5-dihydro-2H-1,4-dioxepine?
The canonical SMILES for 3,5-dihydro-2H-1,4-dioxepine is C1=COCCOC1.
What is the InChIKey of 3,5-dihydro-2H-1,4-dioxepine?
The InChIKey is AXJZXZDPYXAJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O2/c1-2-6-4-5-7-3-1/h1-2H,3-5H2.
What are the key properties of 3,5-dihydro-2H-1,4-dioxepine?
3,5-dihydro-2H-1,4-dioxepine has a molecular weight of 100.12 g/mol, XLogP of 0.55, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dihydro-2H-1,4-dioxepine is sourced from PubChem (CID 536111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).