1-(2,2,5,5-tetramethyloxolan-3-yl)-2-thiophen-2-ylethanone

C14H20O2S — CID 114622374

IUPAC1-(2,2,5,5-tetramethyloxolan-3-yl)-2-thiophen-2-ylethanone
SMILESCC1(C)CC(C(=O)Cc2cccs2)C(C)(C)O1
InChIInChI=1S/C14H20O2S/c1-13(2)9-11(14(3,4)16-13)12(15)8-10-6-5-7-17-10/h5-7,11H,8-9H2,1-4H3
InChIKeyZOUZPUFMNLWZGY-UHFFFAOYSA-N
MW252.38 g/mol
LogP3.45
Rot. Bonds3

About 1-(2,2,5,5-tetramethyloxolan-3-yl)-2-thiophen-2-ylethanone

1-(2,2,5,5-tetramethyloxolan-3-yl)-2-thiophen-2-ylethanone (PubChem CID 114622374) has the molecular formula C14H20O2S and a molecular weight of 252.38 g/mol. Its IUPAC name is 1-(2,2,5,5-tetramethyloxolan-3-yl)-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-(2,2,5,5-tetramethyloxolan-3-yl)-2-thiophen-2-ylethanone
PubChem CID114622374
Molecular FormulaC14H20O2S
Molecular Weight252.38 g/mol
Exact Mass252.12
IUPAC Name1-(2,2,5,5-tetramethyloxolan-3-yl)-2-thiophen-2-ylethanone
SMILESCC1(C)CC(C(=O)Cc2cccs2)C(C)(C)O1
InChIInChI=1S/C14H20O2S/c1-13(2)9-11(14(3,4)16-13)12(15)8-10-6-5-7-17-10/h5-7,11H,8-9H2,1-4H3
InChIKeyZOUZPUFMNLWZGY-UHFFFAOYSA-N
XLogP3.45
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2,5,5-tetramethyloxolan-3-yl)-2-thiophen-2-ylethanone?
The IUPAC name of 1-(2,2,5,5-tetramethyloxolan-3-yl)-2-thiophen-2-ylethanone (CID 114622374) is 1-(2,2,5,5-tetramethyloxolan-3-yl)-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-(2,2,5,5-tetramethyloxolan-3-yl)-2-thiophen-2-ylethanone?
The canonical SMILES for 1-(2,2,5,5-tetramethyloxolan-3-yl)-2-thiophen-2-ylethanone is CC1(C)CC(C(=O)Cc2cccs2)C(C)(C)O1.
What is the InChIKey of 1-(2,2,5,5-tetramethyloxolan-3-yl)-2-thiophen-2-ylethanone?
The InChIKey is ZOUZPUFMNLWZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2S/c1-13(2)9-11(14(3,4)16-13)12(15)8-10-6-5-7-17-10/h5-7,11H,8-9H2,1-4H3.
What are the key properties of 1-(2,2,5,5-tetramethyloxolan-3-yl)-2-thiophen-2-ylethanone?
1-(2,2,5,5-tetramethyloxolan-3-yl)-2-thiophen-2-ylethanone has a molecular weight of 252.38 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,5,5-tetramethyloxolan-3-yl)-2-thiophen-2-ylethanone is sourced from PubChem (CID 114622374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).