1-butyl-3-ethyl-3-thiophen-2-ylcyclobutan-1-ol

C14H22OS — CID 135017669

IUPAC1-butyl-3-ethyl-3-thiophen-2-ylcyclobutan-1-ol
SMILESCCCCC1(O)CC(CC)(c2cccs2)C1
InChIInChI=1S/C14H22OS/c1-3-5-8-14(15)10-13(4-2,11-14)12-7-6-9-16-12/h6-7,9,15H,3-5,8,10-11H2,1-2H3
InChIKeyYAOFLGQRLJAMOC-UHFFFAOYSA-N
MW238.40 g/mol
LogP4.11
Rot. Bonds5

About 1-butyl-3-ethyl-3-thiophen-2-ylcyclobutan-1-ol

1-butyl-3-ethyl-3-thiophen-2-ylcyclobutan-1-ol (PubChem CID 135017669) has the molecular formula C14H22OS and a molecular weight of 238.40 g/mol. Its IUPAC name is 1-butyl-3-ethyl-3-thiophen-2-ylcyclobutan-1-ol.

Molecular Properties

Compound Name1-butyl-3-ethyl-3-thiophen-2-ylcyclobutan-1-ol
PubChem CID135017669
Molecular FormulaC14H22OS
Molecular Weight238.40 g/mol
Exact Mass238.14
IUPAC Name1-butyl-3-ethyl-3-thiophen-2-ylcyclobutan-1-ol
SMILESCCCCC1(O)CC(CC)(c2cccs2)C1
InChIInChI=1S/C14H22OS/c1-3-5-8-14(15)10-13(4-2,11-14)12-7-6-9-16-12/h6-7,9,15H,3-5,8,10-11H2,1-2H3
InChIKeyYAOFLGQRLJAMOC-UHFFFAOYSA-N
XLogP4.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-ethyl-3-thiophen-2-ylcyclobutan-1-ol?
The IUPAC name of 1-butyl-3-ethyl-3-thiophen-2-ylcyclobutan-1-ol (CID 135017669) is 1-butyl-3-ethyl-3-thiophen-2-ylcyclobutan-1-ol.
What is the SMILES notation for 1-butyl-3-ethyl-3-thiophen-2-ylcyclobutan-1-ol?
The canonical SMILES for 1-butyl-3-ethyl-3-thiophen-2-ylcyclobutan-1-ol is CCCCC1(O)CC(CC)(c2cccs2)C1.
What is the InChIKey of 1-butyl-3-ethyl-3-thiophen-2-ylcyclobutan-1-ol?
The InChIKey is YAOFLGQRLJAMOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22OS/c1-3-5-8-14(15)10-13(4-2,11-14)12-7-6-9-16-12/h6-7,9,15H,3-5,8,10-11H2,1-2H3.
What are the key properties of 1-butyl-3-ethyl-3-thiophen-2-ylcyclobutan-1-ol?
1-butyl-3-ethyl-3-thiophen-2-ylcyclobutan-1-ol has a molecular weight of 238.40 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-ethyl-3-thiophen-2-ylcyclobutan-1-ol is sourced from PubChem (CID 135017669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).