3-ethyl-3-octyldioxirane

C11H22O2 — CID 89239410

IUPAC3-ethyl-3-octyldioxirane
SMILESCCCCCCCCC1(CC)OO1
InChIInChI=1S/C11H22O2/c1-3-5-6-7-8-9-10-11(4-2)12-13-11/h3-10H2,1-2H3
InChIKeyZJGGWJZWHKCDTK-UHFFFAOYSA-N
MW186.29 g/mol
LogP3.81
Rot. Bonds8

About 3-ethyl-3-octyldioxirane

3-ethyl-3-octyldioxirane (PubChem CID 89239410) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 3-ethyl-3-octyldioxirane.

Molecular Properties

Compound Name3-ethyl-3-octyldioxirane
PubChem CID89239410
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name3-ethyl-3-octyldioxirane
SMILESCCCCCCCCC1(CC)OO1
InChIInChI=1S/C11H22O2/c1-3-5-6-7-8-9-10-11(4-2)12-13-11/h3-10H2,1-2H3
InChIKeyZJGGWJZWHKCDTK-UHFFFAOYSA-N
XLogP3.81
TPSA25.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

3,3,6,6,9,9-hexapentyl-1,2,4,5,7,8-hexaoxonane
CID 10745423
2-dodecyl-2-ethyl-1,3-dioxolane
CID 89440432
2-heptyl-2-octyl-1,3-dioxolane
CID 89440490
2-heptyl-2-octyl-1,3-dioxole
CID 141318565
2-dodecyl-2-heptyl-1,3-dioxolane
CID 89440443
heptane;platinum
CID 160745252
2-dodecyl-2-heptyl-1,3-dioxane
CID 89440122
ethane;2-heptyl-2-propyl-1,3-dioxolane
CID 144819660
2-heptyl-2-propyl-1,3-dioxane
CID 89440265
(3-heptadecyldioxiran-3-yl)oxysilane
CID 173121350
3-hexyl-3,6,6,9,9-pentamethyl-1,2,4,5,7,8-hexaoxonane
CID 123140797
(1,2,3,4,5,6,7,8,9,10,11,12-13C12)dodecane
CID 71309250

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-octyldioxirane?
The IUPAC name of 3-ethyl-3-octyldioxirane (CID 89239410) is 3-ethyl-3-octyldioxirane.
What is the SMILES notation for 3-ethyl-3-octyldioxirane?
The canonical SMILES for 3-ethyl-3-octyldioxirane is CCCCCCCCC1(CC)OO1.
What is the InChIKey of 3-ethyl-3-octyldioxirane?
The InChIKey is ZJGGWJZWHKCDTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-3-5-6-7-8-9-10-11(4-2)12-13-11/h3-10H2,1-2H3.
What are the key properties of 3-ethyl-3-octyldioxirane?
3-ethyl-3-octyldioxirane has a molecular weight of 186.29 g/mol, XLogP of 3.81, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-octyldioxirane is sourced from PubChem (CID 89239410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).