2-ethyl-3-(3-methylthiophen-2-yl)cyclobutan-1-ol

C11H16OS — CID 81416541

IUPAC2-ethyl-3-(3-methylthiophen-2-yl)cyclobutan-1-ol
SMILESCCC1C(O)CC1c1sccc1C
InChIInChI=1S/C11H16OS/c1-3-8-9(6-10(8)12)11-7(2)4-5-13-11/h4-5,8-10,12H,3,6H2,1-2H3
InChIKeyWIILHOPKWPHPCI-UHFFFAOYSA-N
MW196.31 g/mol
LogP2.93
Rot. Bonds2

About 2-ethyl-3-(3-methylthiophen-2-yl)cyclobutan-1-ol

2-ethyl-3-(3-methylthiophen-2-yl)cyclobutan-1-ol (PubChem CID 81416541) has the molecular formula C11H16OS and a molecular weight of 196.31 g/mol. Its IUPAC name is 2-ethyl-3-(3-methylthiophen-2-yl)cyclobutan-1-ol.

Molecular Properties

Compound Name2-ethyl-3-(3-methylthiophen-2-yl)cyclobutan-1-ol
PubChem CID81416541
Molecular FormulaC11H16OS
Molecular Weight196.31 g/mol
Exact Mass196.09
IUPAC Name2-ethyl-3-(3-methylthiophen-2-yl)cyclobutan-1-ol
SMILESCCC1C(O)CC1c1sccc1C
InChIInChI=1S/C11H16OS/c1-3-8-9(6-10(8)12)11-7(2)4-5-13-11/h4-5,8-10,12H,3,6H2,1-2H3
InChIKeyWIILHOPKWPHPCI-UHFFFAOYSA-N
XLogP2.93
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.31
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-(3-methylthiophen-2-yl)cyclobutan-1-ol?
The IUPAC name of 2-ethyl-3-(3-methylthiophen-2-yl)cyclobutan-1-ol (CID 81416541) is 2-ethyl-3-(3-methylthiophen-2-yl)cyclobutan-1-ol.
What is the SMILES notation for 2-ethyl-3-(3-methylthiophen-2-yl)cyclobutan-1-ol?
The canonical SMILES for 2-ethyl-3-(3-methylthiophen-2-yl)cyclobutan-1-ol is CCC1C(O)CC1c1sccc1C.
What is the InChIKey of 2-ethyl-3-(3-methylthiophen-2-yl)cyclobutan-1-ol?
The InChIKey is WIILHOPKWPHPCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16OS/c1-3-8-9(6-10(8)12)11-7(2)4-5-13-11/h4-5,8-10,12H,3,6H2,1-2H3.
What are the key properties of 2-ethyl-3-(3-methylthiophen-2-yl)cyclobutan-1-ol?
2-ethyl-3-(3-methylthiophen-2-yl)cyclobutan-1-ol has a molecular weight of 196.31 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-(3-methylthiophen-2-yl)cyclobutan-1-ol is sourced from PubChem (CID 81416541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).