2-(3-ethoxycyclobutyl)-1-(5-methylthiophen-2-yl)ethanone

C13H18O2S — CID 103162359

IUPAC2-(3-ethoxycyclobutyl)-1-(5-methylthiophen-2-yl)ethanone
SMILESCCOC1CC(CC(=O)c2ccc(C)s2)C1
InChIInChI=1S/C13H18O2S/c1-3-15-11-6-10(7-11)8-12(14)13-5-4-9(2)16-13/h4-5,10-11H,3,6-8H2,1-2H3
InChIKeyQYHQJGFJDHROQO-UHFFFAOYSA-N
MW238.35 g/mol
LogP3.44
Rot. Bonds5

About 2-(3-ethoxycyclobutyl)-1-(5-methylthiophen-2-yl)ethanone

2-(3-ethoxycyclobutyl)-1-(5-methylthiophen-2-yl)ethanone (PubChem CID 103162359) has the molecular formula C13H18O2S and a molecular weight of 238.35 g/mol. Its IUPAC name is 2-(3-ethoxycyclobutyl)-1-(5-methylthiophen-2-yl)ethanone.

Molecular Properties

Compound Name2-(3-ethoxycyclobutyl)-1-(5-methylthiophen-2-yl)ethanone
PubChem CID103162359
Molecular FormulaC13H18O2S
Molecular Weight238.35 g/mol
Exact Mass238.10
IUPAC Name2-(3-ethoxycyclobutyl)-1-(5-methylthiophen-2-yl)ethanone
SMILESCCOC1CC(CC(=O)c2ccc(C)s2)C1
InChIInChI=1S/C13H18O2S/c1-3-15-11-6-10(7-11)8-12(14)13-5-4-9(2)16-13/h4-5,10-11H,3,6-8H2,1-2H3
InChIKeyQYHQJGFJDHROQO-UHFFFAOYSA-N
XLogP3.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(Oxan-4-yl)thiophene-2-carbaldehyde
CID 83818746
1-[5-(Oxan-4-yl)thiophen-2-yl]ethanone
CID 83820838
2-(Hydroxymethyl)-1-thiophen-2-ylhexan-1-one
CID 102171022
2-(3,3-Dimethyl-5-hydroxy-pentanoyl)thiophene
CID 129711839
3-Methyl-2-thienyl 8-carbethoxyoctyl ketone
CID 129791359
Ethyl 5-(5-ethyl-2-thenoyl)valerate
CID 129802194
Ethyl 5-(2,5-dimethyl-3-thenoyl)valerate
CID 129802803
1-[(1R,2S)-2-(5-acetylthiophen-2-yl)cyclobutyl]ethanone
CID 166447983
CID 178271185
CID 178271185
4-(5-Methylthiophene-2-carbonyl)oxolan-2-one
CID 10398198
Dimethyl 4-(thiophene-2-carbonyl)heptanedioate
CID 12171823
Ethyl 2-(5-acetylthiophen-2-yl)propanoate
CID 12357017

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxycyclobutyl)-1-(5-methylthiophen-2-yl)ethanone?
The IUPAC name of 2-(3-ethoxycyclobutyl)-1-(5-methylthiophen-2-yl)ethanone (CID 103162359) is 2-(3-ethoxycyclobutyl)-1-(5-methylthiophen-2-yl)ethanone.
What is the SMILES notation for 2-(3-ethoxycyclobutyl)-1-(5-methylthiophen-2-yl)ethanone?
The canonical SMILES for 2-(3-ethoxycyclobutyl)-1-(5-methylthiophen-2-yl)ethanone is CCOC1CC(CC(=O)c2ccc(C)s2)C1.
What is the InChIKey of 2-(3-ethoxycyclobutyl)-1-(5-methylthiophen-2-yl)ethanone?
The InChIKey is QYHQJGFJDHROQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2S/c1-3-15-11-6-10(7-11)8-12(14)13-5-4-9(2)16-13/h4-5,10-11H,3,6-8H2,1-2H3.
What are the key properties of 2-(3-ethoxycyclobutyl)-1-(5-methylthiophen-2-yl)ethanone?
2-(3-ethoxycyclobutyl)-1-(5-methylthiophen-2-yl)ethanone has a molecular weight of 238.35 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxycyclobutyl)-1-(5-methylthiophen-2-yl)ethanone is sourced from PubChem (CID 103162359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).