[2-[2-(furan-2-yl)ethenyl]oxolan-2-yl] acetate

C12H14O4 — CID 70468933

IUPAC[2-[2-(furan-2-yl)ethenyl]oxolan-2-yl] acetate
SMILESCC(=O)OC1(C=Cc2ccco2)CCCO1
InChIInChI=1S/C12H14O4/c1-10(13)16-12(6-3-9-15-12)7-5-11-4-2-8-14-11/h2,4-5,7-8H,3,6,9H2,1H3
InChIKeyMEKSREFYQWLXKG-UHFFFAOYSA-N
MW222.24 g/mol
LogP2.36
Rot. Bonds3

About [2-[2-(furan-2-yl)ethenyl]oxolan-2-yl] acetate

[2-[2-(furan-2-yl)ethenyl]oxolan-2-yl] acetate (PubChem CID 70468933) has the molecular formula C12H14O4 and a molecular weight of 222.24 g/mol. Its IUPAC name is [2-[2-(furan-2-yl)ethenyl]oxolan-2-yl] acetate.

Molecular Properties

Compound Name[2-[2-(furan-2-yl)ethenyl]oxolan-2-yl] acetate
PubChem CID70468933
Molecular FormulaC12H14O4
Molecular Weight222.24 g/mol
Exact Mass222.09
IUPAC Name[2-[2-(furan-2-yl)ethenyl]oxolan-2-yl] acetate
SMILESCC(=O)OC1(C=Cc2ccco2)CCCO1
InChIInChI=1S/C12H14O4/c1-10(13)16-12(6-3-9-15-12)7-5-11-4-2-8-14-11/h2,4-5,7-8H,3,6,9H2,1H3
InChIKeyMEKSREFYQWLXKG-UHFFFAOYSA-N
XLogP2.36
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[2-(furan-2-yl)ethenyl]oxolan-2-yl] acetate?
The IUPAC name of [2-[2-(furan-2-yl)ethenyl]oxolan-2-yl] acetate (CID 70468933) is [2-[2-(furan-2-yl)ethenyl]oxolan-2-yl] acetate.
What is the SMILES notation for [2-[2-(furan-2-yl)ethenyl]oxolan-2-yl] acetate?
The canonical SMILES for [2-[2-(furan-2-yl)ethenyl]oxolan-2-yl] acetate is CC(=O)OC1(C=Cc2ccco2)CCCO1.
What is the InChIKey of [2-[2-(furan-2-yl)ethenyl]oxolan-2-yl] acetate?
The InChIKey is MEKSREFYQWLXKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O4/c1-10(13)16-12(6-3-9-15-12)7-5-11-4-2-8-14-11/h2,4-5,7-8H,3,6,9H2,1H3.
What are the key properties of [2-[2-(furan-2-yl)ethenyl]oxolan-2-yl] acetate?
[2-[2-(furan-2-yl)ethenyl]oxolan-2-yl] acetate has a molecular weight of 222.24 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(furan-2-yl)ethenyl]oxolan-2-yl] acetate is sourced from PubChem (CID 70468933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).