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Ethane;1-(furan-3-yl)ethanone;methane

C9H16O2 — CID 145092753

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACethane;1-(furan-3-yl)ethanone;methane
SMILESC.CC.CC(=O)c1ccoc1
InChIInChI=1S/C6H6O2.C2H6.CH4/c1-5(7)6-2-3-8-4-6;1-2;/h2-4H,1H3;1-2H3;1H4
InChIKeyDAMZDWMYTWUQJH-UHFFFAOYSA-N
MW156.22 g/mol
LogP3.14
Rot. Bonds1

About Ethane;1-(furan-3-yl)ethanone;methane

Ethane;1-(furan-3-yl)ethanone;methane (PubChem CID 145092753) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is ethane;1-(furan-3-yl)ethanone;methane.

Molecular Properties

Compound NameEthane;1-(furan-3-yl)ethanone;methane
PubChem CID145092753
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Nameethane;1-(furan-3-yl)ethanone;methane
SMILESC.CC.CC(=O)c1ccoc1
InChIInChI=1S/C6H6O2.C2H6.CH4/c1-5(7)6-2-3-8-4-6;1-2;/h2-4H,1H3;1-2H3;1H4
InChIKeyDAMZDWMYTWUQJH-UHFFFAOYSA-N
XLogP3.14
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of Ethane;1-(furan-3-yl)ethanone;methane?
The IUPAC name of Ethane;1-(furan-3-yl)ethanone;methane (CID 145092753) is ethane;1-(furan-3-yl)ethanone;methane.
What is the SMILES notation for Ethane;1-(furan-3-yl)ethanone;methane?
The canonical SMILES for Ethane;1-(furan-3-yl)ethanone;methane is C.CC.CC(=O)c1ccoc1.
What is the InChIKey of Ethane;1-(furan-3-yl)ethanone;methane?
The InChIKey is DAMZDWMYTWUQJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O2.C2H6.CH4/c1-5(7)6-2-3-8-4-6;1-2;/h2-4H,1H3;1-2H3;1H4.
What are the key properties of Ethane;1-(furan-3-yl)ethanone;methane?
Ethane;1-(furan-3-yl)ethanone;methane has a molecular weight of 156.22 g/mol, XLogP of 3.14, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for Ethane;1-(furan-3-yl)ethanone;methane is sourced from PubChem (CID 145092753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

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