1-(2,2,5-trimethyl-3H-furan-4-yl)ethanone

C9H14O2 — CID 10012120

IUPAC1-(2,2,5-trimethyl-3H-furan-4-yl)ethanone
SMILESCC(=O)C1=C(C)OC(C)(C)C1
InChIInChI=1S/C9H14O2/c1-6(10)8-5-9(3,4)11-7(8)2/h5H2,1-4H3
InChIKeyIFSDVANVSHYHJP-UHFFFAOYSA-N
MW154.21 g/mol
LogP2.05
Rot. Bonds1

About 1-(2,2,5-trimethyl-3H-furan-4-yl)ethanone

1-(2,2,5-trimethyl-3H-furan-4-yl)ethanone (PubChem CID 10012120) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 1-(2,2,5-trimethyl-3H-furan-4-yl)ethanone.

Molecular Properties

Compound Name1-(2,2,5-trimethyl-3H-furan-4-yl)ethanone
PubChem CID10012120
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name1-(2,2,5-trimethyl-3H-furan-4-yl)ethanone
SMILESCC(=O)C1=C(C)OC(C)(C)C1
InChIInChI=1S/C9H14O2/c1-6(10)8-5-9(3,4)11-7(8)2/h5H2,1-4H3
InChIKeyIFSDVANVSHYHJP-UHFFFAOYSA-N
XLogP2.05
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2,5-trimethyl-3H-furan-4-yl)ethanone?
The IUPAC name of 1-(2,2,5-trimethyl-3H-furan-4-yl)ethanone (CID 10012120) is 1-(2,2,5-trimethyl-3H-furan-4-yl)ethanone.
What is the SMILES notation for 1-(2,2,5-trimethyl-3H-furan-4-yl)ethanone?
The canonical SMILES for 1-(2,2,5-trimethyl-3H-furan-4-yl)ethanone is CC(=O)C1=C(C)OC(C)(C)C1.
What is the InChIKey of 1-(2,2,5-trimethyl-3H-furan-4-yl)ethanone?
The InChIKey is IFSDVANVSHYHJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-6(10)8-5-9(3,4)11-7(8)2/h5H2,1-4H3.
What are the key properties of 1-(2,2,5-trimethyl-3H-furan-4-yl)ethanone?
1-(2,2,5-trimethyl-3H-furan-4-yl)ethanone has a molecular weight of 154.21 g/mol, XLogP of 2.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,5-trimethyl-3H-furan-4-yl)ethanone is sourced from PubChem (CID 10012120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).