4,5-diethyl-1,3-dioxole

C7H12O2 — CID 67759387

IUPAC4,5-diethyl-1,3-dioxole
SMILESCCC1=C(CC)OCO1
InChIInChI=1S/C7H12O2/c1-3-6-7(4-2)9-5-8-6/h3-5H2,1-2H3
InChIKeyNCPRYXRNCZTOJB-UHFFFAOYSA-N
MW128.17 g/mol
LogP2.02
Rot. Bonds2

About 4,5-diethyl-1,3-dioxole

4,5-diethyl-1,3-dioxole (PubChem CID 67759387) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is 4,5-diethyl-1,3-dioxole.

Molecular Properties

Compound Name4,5-diethyl-1,3-dioxole
PubChem CID67759387
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name4,5-diethyl-1,3-dioxole
SMILESCCC1=C(CC)OCO1
InChIInChI=1S/C7H12O2/c1-3-6-7(4-2)9-5-8-6/h3-5H2,1-2H3
InChIKeyNCPRYXRNCZTOJB-UHFFFAOYSA-N
XLogP2.02
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-diethyl-1,3-dioxole?
The IUPAC name of 4,5-diethyl-1,3-dioxole (CID 67759387) is 4,5-diethyl-1,3-dioxole.
What is the SMILES notation for 4,5-diethyl-1,3-dioxole?
The canonical SMILES for 4,5-diethyl-1,3-dioxole is CCC1=C(CC)OCO1.
What is the InChIKey of 4,5-diethyl-1,3-dioxole?
The InChIKey is NCPRYXRNCZTOJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2/c1-3-6-7(4-2)9-5-8-6/h3-5H2,1-2H3.
What are the key properties of 4,5-diethyl-1,3-dioxole?
4,5-diethyl-1,3-dioxole has a molecular weight of 128.17 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diethyl-1,3-dioxole is sourced from PubChem (CID 67759387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).