4-butan-2-yl-2-(furan-2-yl)-1,3-dioxolane

C11H16O3 — CID 89076481

IUPAC4-butan-2-yl-2-(furan-2-yl)-1,3-dioxolane
SMILESCCC(C)C1COC(c2ccco2)O1
InChIInChI=1S/C11H16O3/c1-3-8(2)10-7-13-11(14-10)9-5-4-6-12-9/h4-6,8,10-11H,3,7H2,1-2H3
InChIKeyGDVMOMPWADJSCD-UHFFFAOYSA-N
MW196.25 g/mol
LogP2.74
Rot. Bonds3

About 4-butan-2-yl-2-(furan-2-yl)-1,3-dioxolane

4-butan-2-yl-2-(furan-2-yl)-1,3-dioxolane (PubChem CID 89076481) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is 4-butan-2-yl-2-(furan-2-yl)-1,3-dioxolane.

Molecular Properties

Compound Name4-butan-2-yl-2-(furan-2-yl)-1,3-dioxolane
PubChem CID89076481
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name4-butan-2-yl-2-(furan-2-yl)-1,3-dioxolane
SMILESCCC(C)C1COC(c2ccco2)O1
InChIInChI=1S/C11H16O3/c1-3-8(2)10-7-13-11(14-10)9-5-4-6-12-9/h4-6,8,10-11H,3,7H2,1-2H3
InChIKeyGDVMOMPWADJSCD-UHFFFAOYSA-N
XLogP2.74
TPSA31.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-2-(furan-2-yl)-1,3-dioxolane?
The IUPAC name of 4-butan-2-yl-2-(furan-2-yl)-1,3-dioxolane (CID 89076481) is 4-butan-2-yl-2-(furan-2-yl)-1,3-dioxolane.
What is the SMILES notation for 4-butan-2-yl-2-(furan-2-yl)-1,3-dioxolane?
The canonical SMILES for 4-butan-2-yl-2-(furan-2-yl)-1,3-dioxolane is CCC(C)C1COC(c2ccco2)O1.
What is the InChIKey of 4-butan-2-yl-2-(furan-2-yl)-1,3-dioxolane?
The InChIKey is GDVMOMPWADJSCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c1-3-8(2)10-7-13-11(14-10)9-5-4-6-12-9/h4-6,8,10-11H,3,7H2,1-2H3.
What are the key properties of 4-butan-2-yl-2-(furan-2-yl)-1,3-dioxolane?
4-butan-2-yl-2-(furan-2-yl)-1,3-dioxolane has a molecular weight of 196.25 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-2-(furan-2-yl)-1,3-dioxolane is sourced from PubChem (CID 89076481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).