6-ethyl-1,3,5-trioxepane

C6H12O3 — CID 139790395

IUPAC6-ethyl-1,3,5-trioxepane
SMILESCCC1COCOCO1
InChIInChI=1S/C6H12O3/c1-2-6-3-7-4-8-5-9-6/h6H,2-5H2,1H3
InChIKeyMLOSYHCZBLAPKU-UHFFFAOYSA-N
MW132.16 g/mol
LogP0.74
Rot. Bonds1

About 6-ethyl-1,3,5-trioxepane

6-ethyl-1,3,5-trioxepane (PubChem CID 139790395) has the molecular formula C6H12O3 and a molecular weight of 132.16 g/mol. Its IUPAC name is 6-ethyl-1,3,5-trioxepane.

Molecular Properties

Compound Name6-ethyl-1,3,5-trioxepane
PubChem CID139790395
Molecular FormulaC6H12O3
Molecular Weight132.16 g/mol
Exact Mass132.08
IUPAC Name6-ethyl-1,3,5-trioxepane
SMILESCCC1COCOCO1
InChIInChI=1S/C6H12O3/c1-2-6-3-7-4-8-5-9-6/h6H,2-5H2,1H3
InChIKeyMLOSYHCZBLAPKU-UHFFFAOYSA-N
XLogP0.74
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-1,3-dioxolane;methane
CID 158064342
6-propyl-1,3,5-trioxepane
CID 139790394
tetrakis(2-ethyloxirane);methane
CID 162010408
ethane;2-ethyl-1,4-dioxane
CID 170734415
CID 59677627
CID 59677627
dimethylsilane;2-ethyloxirane
CID 175208147
1,3-dioxolan-4-ylmethyl(trimethyl)azanium bromide
CID 23273521
ethane-1,2-diol;2-ethyloxirane
CID 23290341
4-(prop-2-ynylsulfonylmethyl)-1,3-dioxolane
CID 89314118
ethane;2-ethyloxirane;hexane
CID 91113410
2-ethyl-1,4,7,10,13,16-hexaoxacyclooctadecane;isocyanic acid
CID 91046910
1-[[(4R)-1,3-dioxolan-4-yl]methyl]cyclopropane-1-thiol
CID 163856921

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1,3,5-trioxepane?
The IUPAC name of 6-ethyl-1,3,5-trioxepane (CID 139790395) is 6-ethyl-1,3,5-trioxepane.
What is the SMILES notation for 6-ethyl-1,3,5-trioxepane?
The canonical SMILES for 6-ethyl-1,3,5-trioxepane is CCC1COCOCO1.
What is the InChIKey of 6-ethyl-1,3,5-trioxepane?
The InChIKey is MLOSYHCZBLAPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3/c1-2-6-3-7-4-8-5-9-6/h6H,2-5H2,1H3.
What are the key properties of 6-ethyl-1,3,5-trioxepane?
6-ethyl-1,3,5-trioxepane has a molecular weight of 132.16 g/mol, XLogP of 0.74, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1,3,5-trioxepane is sourced from PubChem (CID 139790395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).