6-propyl-1,3,5-trioxepane

C7H14O3 — CID 139790394

IUPAC6-propyl-1,3,5-trioxepane
SMILESCCCC1COCOCO1
InChIInChI=1S/C7H14O3/c1-2-3-7-4-8-5-9-6-10-7/h7H,2-6H2,1H3
InChIKeyZHSCDRWDBICDMG-UHFFFAOYSA-N
MW146.19 g/mol
LogP1.13
Rot. Bonds2

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

6-propyl-1,3,5-trioxepane (PubChem CID 139790394) has the molecular formula C7H14O3 and a molecular weight of 146.19 g/mol. Its IUPAC name is 6-propyl-1,3,5-trioxepane.

Molecular Properties

Compound Name6-propyl-1,3,5-trioxepane
PubChem CID139790394
Molecular FormulaC7H14O3
Molecular Weight146.19 g/mol
Exact Mass146.09
IUPAC Name6-propyl-1,3,5-trioxepane
SMILESCCCC1COCOCO1
InChIInChI=1S/C7H14O3/c1-2-3-7-4-8-5-9-6-10-7/h7H,2-6H2,1H3
InChIKeyZHSCDRWDBICDMG-UHFFFAOYSA-N
XLogP1.13
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-ethyl-1,3,5-trioxepane
CID 139790395
4-ethyl-1,3-dioxolane;methane
CID 158064342
5-propyl-1,3-dioxane
CID 12697738
2-propyl-1,3,5-trioxane
CID 68769940
CID 175475934
CID 175475934
oxolane;2-propyloxirane
CID 175023929
CID 59677627
CID 59677627
1,3-dioxolan-4-ylmethyl(trimethyl)azanium bromide
CID 23273521
3-propyldioxetane
CID 20778371
(2S,4R)-2-methyl-4-propyl-1,3-dioxolane
CID 131847771
4-(2-ethoxyhexyl)-1,3-dioxolane
CID 70292178
(2R)-2-pentyloxirane
CID 11147691

Frequently Asked Questions

What is the IUPAC name of 6-propyl-1,3,5-trioxepane?
The IUPAC name of 6-propyl-1,3,5-trioxepane (CID 139790394) is 6-propyl-1,3,5-trioxepane.
What is the SMILES notation for 6-propyl-1,3,5-trioxepane?
The canonical SMILES for 6-propyl-1,3,5-trioxepane is CCCC1COCOCO1.
What is the InChIKey of 6-propyl-1,3,5-trioxepane?
The InChIKey is ZHSCDRWDBICDMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3/c1-2-3-7-4-8-5-9-6-10-7/h7H,2-6H2,1H3.
What are the key properties of 6-propyl-1,3,5-trioxepane?
6-propyl-1,3,5-trioxepane has a molecular weight of 146.19 g/mol, XLogP of 1.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propyl-1,3,5-trioxepane is sourced from PubChem (CID 139790394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).