2-[(2-methylpropan-2-yl)oxy]-1-thiophen-2-ylethanone

C10H14O2S — CID 43800316

IUPAC2-[(2-methylpropan-2-yl)oxy]-1-thiophen-2-ylethanone
SMILESCC(C)(C)OCC(=O)c1cccs1
InChIInChI=1S/C10H14O2S/c1-10(2,3)12-7-8(11)9-5-4-6-13-9/h4-6H,7H2,1-3H3
InChIKeyMNPJCXJASOKSIM-UHFFFAOYSA-N
MW198.29 g/mol
LogP2.75
Rot. Bonds3

About 2-[(2-methylpropan-2-yl)oxy]-1-thiophen-2-ylethanone

2-[(2-methylpropan-2-yl)oxy]-1-thiophen-2-ylethanone (PubChem CID 43800316) has the molecular formula C10H14O2S and a molecular weight of 198.29 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxy]-1-thiophen-2-ylethanone.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxy]-1-thiophen-2-ylethanone
PubChem CID43800316
Molecular FormulaC10H14O2S
Molecular Weight198.29 g/mol
Exact Mass198.07
IUPAC Name2-[(2-methylpropan-2-yl)oxy]-1-thiophen-2-ylethanone
SMILESCC(C)(C)OCC(=O)c1cccs1
InChIInChI=1S/C10H14O2S/c1-10(2,3)12-7-8(11)9-5-4-6-13-9/h4-6H,7H2,1-3H3
InChIKeyMNPJCXJASOKSIM-UHFFFAOYSA-N
XLogP2.75
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropan-2-yl)oxy]-1-thiophen-2-ylethanone?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxy]-1-thiophen-2-ylethanone (CID 43800316) is 2-[(2-methylpropan-2-yl)oxy]-1-thiophen-2-ylethanone.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxy]-1-thiophen-2-ylethanone?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxy]-1-thiophen-2-ylethanone is CC(C)(C)OCC(=O)c1cccs1.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxy]-1-thiophen-2-ylethanone?
The InChIKey is MNPJCXJASOKSIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2S/c1-10(2,3)12-7-8(11)9-5-4-6-13-9/h4-6H,7H2,1-3H3.
What are the key properties of 2-[(2-methylpropan-2-yl)oxy]-1-thiophen-2-ylethanone?
2-[(2-methylpropan-2-yl)oxy]-1-thiophen-2-ylethanone has a molecular weight of 198.29 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxy]-1-thiophen-2-ylethanone is sourced from PubChem (CID 43800316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).