2-(2,5-diethyl-2H-furan-5-yl)-1,3-dioxolane

C11H18O3 — CID 155236014

IUPAC2-(2,5-diethyl-2H-furan-5-yl)-1,3-dioxolane
SMILESCCC1C=CC(CC)(C2OCCO2)O1
InChIInChI=1S/C11H18O3/c1-3-9-5-6-11(4-2,14-9)10-12-7-8-13-10/h5-6,9-10H,3-4,7-8H2,1-2H3
InChIKeyYVRNNDIZMNRDFD-UHFFFAOYSA-N
MW198.26 g/mol
LogP1.87
Rot. Bonds3

About 2-(2,5-diethyl-2H-furan-5-yl)-1,3-dioxolane

2-(2,5-diethyl-2H-furan-5-yl)-1,3-dioxolane (PubChem CID 155236014) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is 2-(2,5-diethyl-2H-furan-5-yl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(2,5-diethyl-2H-furan-5-yl)-1,3-dioxolane
PubChem CID155236014
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name2-(2,5-diethyl-2H-furan-5-yl)-1,3-dioxolane
SMILESCCC1C=CC(CC)(C2OCCO2)O1
InChIInChI=1S/C11H18O3/c1-3-9-5-6-11(4-2,14-9)10-12-7-8-13-10/h5-6,9-10H,3-4,7-8H2,1-2H3
InChIKeyYVRNNDIZMNRDFD-UHFFFAOYSA-N
XLogP1.87
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-diethyl-2H-furan-5-yl)-1,3-dioxolane?
The IUPAC name of 2-(2,5-diethyl-2H-furan-5-yl)-1,3-dioxolane (CID 155236014) is 2-(2,5-diethyl-2H-furan-5-yl)-1,3-dioxolane.
What is the SMILES notation for 2-(2,5-diethyl-2H-furan-5-yl)-1,3-dioxolane?
The canonical SMILES for 2-(2,5-diethyl-2H-furan-5-yl)-1,3-dioxolane is CCC1C=CC(CC)(C2OCCO2)O1.
What is the InChIKey of 2-(2,5-diethyl-2H-furan-5-yl)-1,3-dioxolane?
The InChIKey is YVRNNDIZMNRDFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c1-3-9-5-6-11(4-2,14-9)10-12-7-8-13-10/h5-6,9-10H,3-4,7-8H2,1-2H3.
What are the key properties of 2-(2,5-diethyl-2H-furan-5-yl)-1,3-dioxolane?
2-(2,5-diethyl-2H-furan-5-yl)-1,3-dioxolane has a molecular weight of 198.26 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-diethyl-2H-furan-5-yl)-1,3-dioxolane is sourced from PubChem (CID 155236014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).