1-[5-(oxan-4-yl)thiophen-2-yl]ethanone

C11H14O2S — CID 83820838

IUPAC1-[5-(oxan-4-yl)thiophen-2-yl]ethanone
SMILESCC(=O)c1ccc(C2CCOCC2)s1
InChIInChI=1S/C11H14O2S/c1-8(12)10-2-3-11(14-10)9-4-6-13-7-5-9/h2-3,9H,4-7H2,1H3
InChIKeyNLBMXGNHPYEDOI-UHFFFAOYSA-N
MW210.30 g/mol
LogP2.84
Rot. Bonds2

About 1-[5-(oxan-4-yl)thiophen-2-yl]ethanone

1-[5-(oxan-4-yl)thiophen-2-yl]ethanone (PubChem CID 83820838) has the molecular formula C11H14O2S and a molecular weight of 210.30 g/mol. Its IUPAC name is 1-[5-(oxan-4-yl)thiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-(oxan-4-yl)thiophen-2-yl]ethanone
PubChem CID83820838
Molecular FormulaC11H14O2S
Molecular Weight210.30 g/mol
Exact Mass210.07
IUPAC Name1-[5-(oxan-4-yl)thiophen-2-yl]ethanone
SMILESCC(=O)c1ccc(C2CCOCC2)s1
InChIInChI=1S/C11H14O2S/c1-8(12)10-2-3-11(14-10)9-4-6-13-7-5-9/h2-3,9H,4-7H2,1H3
InChIKeyNLBMXGNHPYEDOI-UHFFFAOYSA-N
XLogP2.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(oxan-4-yl)thiophen-2-yl]ethanone?
The IUPAC name of 1-[5-(oxan-4-yl)thiophen-2-yl]ethanone (CID 83820838) is 1-[5-(oxan-4-yl)thiophen-2-yl]ethanone.
What is the SMILES notation for 1-[5-(oxan-4-yl)thiophen-2-yl]ethanone?
The canonical SMILES for 1-[5-(oxan-4-yl)thiophen-2-yl]ethanone is CC(=O)c1ccc(C2CCOCC2)s1.
What is the InChIKey of 1-[5-(oxan-4-yl)thiophen-2-yl]ethanone?
The InChIKey is NLBMXGNHPYEDOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2S/c1-8(12)10-2-3-11(14-10)9-4-6-13-7-5-9/h2-3,9H,4-7H2,1H3.
What are the key properties of 1-[5-(oxan-4-yl)thiophen-2-yl]ethanone?
1-[5-(oxan-4-yl)thiophen-2-yl]ethanone has a molecular weight of 210.30 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(oxan-4-yl)thiophen-2-yl]ethanone is sourced from PubChem (CID 83820838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).