4,5-diethyl-1,3-dioxolane;2,3-diethyloxirane

C13H26O3 — CID 142047920

IUPAC4,5-diethyl-1,3-dioxolane;2,3-diethyloxirane
SMILESCCC1OC1CC.CCC1OCOC1CC
InChIInChI=1S/C7H14O2.C6H12O/c1-3-6-7(4-2)9-5-8-6;1-3-5-6(4-2)7-5/h6-7H,3-5H2,1-2H3;5-6H,3-4H2,1-2H3
InChIKeyONYKARBEVGVPLH-UHFFFAOYSA-N
MW230.35 g/mol
LogP3.12
Rot. Bonds4

About 4,5-diethyl-1,3-dioxolane;2,3-diethyloxirane

4,5-diethyl-1,3-dioxolane;2,3-diethyloxirane (PubChem CID 142047920) has the molecular formula C13H26O3 and a molecular weight of 230.35 g/mol. Its IUPAC name is 4,5-diethyl-1,3-dioxolane;2,3-diethyloxirane.

Molecular Properties

Compound Name4,5-diethyl-1,3-dioxolane;2,3-diethyloxirane
PubChem CID142047920
Molecular FormulaC13H26O3
Molecular Weight230.35 g/mol
Exact Mass230.19
IUPAC Name4,5-diethyl-1,3-dioxolane;2,3-diethyloxirane
SMILESCCC1OC1CC.CCC1OCOC1CC
InChIInChI=1S/C7H14O2.C6H12O/c1-3-6-7(4-2)9-5-8-6;1-3-5-6(4-2)7-5/h6-7H,3-5H2,1-2H3;5-6H,3-4H2,1-2H3
InChIKeyONYKARBEVGVPLH-UHFFFAOYSA-N
XLogP3.12
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,5-diethyl-1,3-dioxolane;2,3-diethyloxirane?
The IUPAC name of 4,5-diethyl-1,3-dioxolane;2,3-diethyloxirane (CID 142047920) is 4,5-diethyl-1,3-dioxolane;2,3-diethyloxirane.
What is the SMILES notation for 4,5-diethyl-1,3-dioxolane;2,3-diethyloxirane?
The canonical SMILES for 4,5-diethyl-1,3-dioxolane;2,3-diethyloxirane is CCC1OC1CC.CCC1OCOC1CC.
What is the InChIKey of 4,5-diethyl-1,3-dioxolane;2,3-diethyloxirane?
The InChIKey is ONYKARBEVGVPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2.C6H12O/c1-3-6-7(4-2)9-5-8-6;1-3-5-6(4-2)7-5/h6-7H,3-5H2,1-2H3;5-6H,3-4H2,1-2H3.
What are the key properties of 4,5-diethyl-1,3-dioxolane;2,3-diethyloxirane?
4,5-diethyl-1,3-dioxolane;2,3-diethyloxirane has a molecular weight of 230.35 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diethyl-1,3-dioxolane;2,3-diethyloxirane is sourced from PubChem (CID 142047920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).