1-(5-methyloxolan-3-yl)-3-thiophen-3-ylpropan-1-one

C12H16O2S — CID 114972104

IUPAC1-(5-methyloxolan-3-yl)-3-thiophen-3-ylpropan-1-one
SMILESCC1CC(C(=O)CCc2ccsc2)CO1
InChIInChI=1S/C12H16O2S/c1-9-6-11(7-14-9)12(13)3-2-10-4-5-15-8-10/h4-5,8-9,11H,2-3,6-7H2,1H3
InChIKeyKUVYWZYDUWLHKZ-UHFFFAOYSA-N
MW224.32 g/mol
LogP2.67
Rot. Bonds4

About 1-(5-methyloxolan-3-yl)-3-thiophen-3-ylpropan-1-one

1-(5-methyloxolan-3-yl)-3-thiophen-3-ylpropan-1-one (PubChem CID 114972104) has the molecular formula C12H16O2S and a molecular weight of 224.32 g/mol. Its IUPAC name is 1-(5-methyloxolan-3-yl)-3-thiophen-3-ylpropan-1-one.

Molecular Properties

Compound Name1-(5-methyloxolan-3-yl)-3-thiophen-3-ylpropan-1-one
PubChem CID114972104
Molecular FormulaC12H16O2S
Molecular Weight224.32 g/mol
Exact Mass224.09
IUPAC Name1-(5-methyloxolan-3-yl)-3-thiophen-3-ylpropan-1-one
SMILESCC1CC(C(=O)CCc2ccsc2)CO1
InChIInChI=1S/C12H16O2S/c1-9-6-11(7-14-9)12(13)3-2-10-4-5-15-8-10/h4-5,8-9,11H,2-3,6-7H2,1H3
InChIKeyKUVYWZYDUWLHKZ-UHFFFAOYSA-N
XLogP2.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.32
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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1-(4-tert-butylcyclohexyl)-3-thiophen-3-ylpropan-1-one
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1-(5-methyloxolan-3-yl)-3-thiophen-3-ylpropan-1-ol
CID 115798359
1-(4-methylpyrrolidin-3-yl)-3-thiophen-3-ylpropan-1-one
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1-(1,3-dioxolan-2-yl)-4-thiophen-3-ylbutan-2-one
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1-(4-ethylmorpholin-2-yl)-3-thiophen-3-ylpropan-1-one
CID 79665999
cis-(1S,3R)-3-(3-thiophen-3-ylpropanoylamino)cyclopentane-1-carboxylic acid
CID 120676488
1-[5-(aminomethyl)oxolan-2-yl]-3-thiophen-3-ylpropan-1-one
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1-(2-aminocyclohexyl)-3-thiophen-3-ylpropan-1-one
CID 116579929
1-(4-methylthiomorpholin-3-yl)-3-thiophen-3-ylpropan-1-one
CID 103595167
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CID 65407812

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyloxolan-3-yl)-3-thiophen-3-ylpropan-1-one?
The IUPAC name of 1-(5-methyloxolan-3-yl)-3-thiophen-3-ylpropan-1-one (CID 114972104) is 1-(5-methyloxolan-3-yl)-3-thiophen-3-ylpropan-1-one.
What is the SMILES notation for 1-(5-methyloxolan-3-yl)-3-thiophen-3-ylpropan-1-one?
The canonical SMILES for 1-(5-methyloxolan-3-yl)-3-thiophen-3-ylpropan-1-one is CC1CC(C(=O)CCc2ccsc2)CO1.
What is the InChIKey of 1-(5-methyloxolan-3-yl)-3-thiophen-3-ylpropan-1-one?
The InChIKey is KUVYWZYDUWLHKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2S/c1-9-6-11(7-14-9)12(13)3-2-10-4-5-15-8-10/h4-5,8-9,11H,2-3,6-7H2,1H3.
What are the key properties of 1-(5-methyloxolan-3-yl)-3-thiophen-3-ylpropan-1-one?
1-(5-methyloxolan-3-yl)-3-thiophen-3-ylpropan-1-one has a molecular weight of 224.32 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyloxolan-3-yl)-3-thiophen-3-ylpropan-1-one is sourced from PubChem (CID 114972104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).