2-ethyl-2-methyl-3-thiophen-2-ylcyclobutan-1-one

C11H14OS — CID 81414978

IUPAC2-ethyl-2-methyl-3-thiophen-2-ylcyclobutan-1-one
SMILESCCC1(C)C(=O)CC1c1cccs1
InChIInChI=1S/C11H14OS/c1-3-11(2)8(7-10(11)12)9-5-4-6-13-9/h4-6,8H,3,7H2,1-2H3
InChIKeyKMEVOJHBWNQCRH-UHFFFAOYSA-N
MW194.30 g/mol
LogP3.22
Rot. Bonds2

About 2-ethyl-2-methyl-3-thiophen-2-ylcyclobutan-1-one

2-ethyl-2-methyl-3-thiophen-2-ylcyclobutan-1-one (PubChem CID 81414978) has the molecular formula C11H14OS and a molecular weight of 194.30 g/mol. Its IUPAC name is 2-ethyl-2-methyl-3-thiophen-2-ylcyclobutan-1-one.

Molecular Properties

Compound Name2-ethyl-2-methyl-3-thiophen-2-ylcyclobutan-1-one
PubChem CID81414978
Molecular FormulaC11H14OS
Molecular Weight194.30 g/mol
Exact Mass194.08
IUPAC Name2-ethyl-2-methyl-3-thiophen-2-ylcyclobutan-1-one
SMILESCCC1(C)C(=O)CC1c1cccs1
InChIInChI=1S/C11H14OS/c1-3-11(2)8(7-10(11)12)9-5-4-6-13-9/h4-6,8H,3,7H2,1-2H3
InChIKeyKMEVOJHBWNQCRH-UHFFFAOYSA-N
XLogP3.22
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-methyl-3-thiophen-2-ylcyclobutan-1-one?
The IUPAC name of 2-ethyl-2-methyl-3-thiophen-2-ylcyclobutan-1-one (CID 81414978) is 2-ethyl-2-methyl-3-thiophen-2-ylcyclobutan-1-one.
What is the SMILES notation for 2-ethyl-2-methyl-3-thiophen-2-ylcyclobutan-1-one?
The canonical SMILES for 2-ethyl-2-methyl-3-thiophen-2-ylcyclobutan-1-one is CCC1(C)C(=O)CC1c1cccs1.
What is the InChIKey of 2-ethyl-2-methyl-3-thiophen-2-ylcyclobutan-1-one?
The InChIKey is KMEVOJHBWNQCRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14OS/c1-3-11(2)8(7-10(11)12)9-5-4-6-13-9/h4-6,8H,3,7H2,1-2H3.
What are the key properties of 2-ethyl-2-methyl-3-thiophen-2-ylcyclobutan-1-one?
2-ethyl-2-methyl-3-thiophen-2-ylcyclobutan-1-one has a molecular weight of 194.30 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-methyl-3-thiophen-2-ylcyclobutan-1-one is sourced from PubChem (CID 81414978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).