3-(5-ethylnonan-5-yl)dioxirane

C12H24O2 — CID 57191146

IUPAC3-(5-ethylnonan-5-yl)dioxirane
SMILESCCCCC(CC)(CCCC)C1OO1
InChIInChI=1S/C12H24O2/c1-4-7-9-12(6-3,10-8-5-2)11-13-14-11/h11H,4-10H2,1-3H3
InChIKeyISKSHDADKYQSRQ-UHFFFAOYSA-N
MW200.32 g/mol
LogP4.05
Rot. Bonds8

About 3-(5-ethylnonan-5-yl)dioxirane

3-(5-ethylnonan-5-yl)dioxirane (PubChem CID 57191146) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is 3-(5-ethylnonan-5-yl)dioxirane.

Molecular Properties

Compound Name3-(5-ethylnonan-5-yl)dioxirane
PubChem CID57191146
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name3-(5-ethylnonan-5-yl)dioxirane
SMILESCCCCC(CC)(CCCC)C1OO1
InChIInChI=1S/C12H24O2/c1-4-7-9-12(6-3,10-8-5-2)11-13-14-11/h11H,4-10H2,1-3H3
InChIKeyISKSHDADKYQSRQ-UHFFFAOYSA-N
XLogP4.05
TPSA25.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(5-ethylnonan-5-yl)dioxirane?
The IUPAC name of 3-(5-ethylnonan-5-yl)dioxirane (CID 57191146) is 3-(5-ethylnonan-5-yl)dioxirane.
What is the SMILES notation for 3-(5-ethylnonan-5-yl)dioxirane?
The canonical SMILES for 3-(5-ethylnonan-5-yl)dioxirane is CCCCC(CC)(CCCC)C1OO1.
What is the InChIKey of 3-(5-ethylnonan-5-yl)dioxirane?
The InChIKey is ISKSHDADKYQSRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2/c1-4-7-9-12(6-3,10-8-5-2)11-13-14-11/h11H,4-10H2,1-3H3.
What are the key properties of 3-(5-ethylnonan-5-yl)dioxirane?
3-(5-ethylnonan-5-yl)dioxirane has a molecular weight of 200.32 g/mol, XLogP of 4.05, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-ethylnonan-5-yl)dioxirane is sourced from PubChem (CID 57191146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).