3-(cyclobutylmethyl)-2-methylthiophene

C10H14S — CID 18942959

IUPAC3-(cyclobutylmethyl)-2-methylthiophene
SMILESCc1sccc1CC1CCC1
InChIInChI=1S/C10H14S/c1-8-10(5-6-11-8)7-9-3-2-4-9/h5-6,9H,2-4,7H2,1H3
InChIKeyKXXVUMZVSOQDAA-UHFFFAOYSA-N
MW166.29 g/mol
LogP3.40
Rot. Bonds2

About 3-(cyclobutylmethyl)-2-methylthiophene

3-(cyclobutylmethyl)-2-methylthiophene (PubChem CID 18942959) has the molecular formula C10H14S and a molecular weight of 166.29 g/mol. Its IUPAC name is 3-(cyclobutylmethyl)-2-methylthiophene.

Molecular Properties

Compound Name3-(cyclobutylmethyl)-2-methylthiophene
PubChem CID18942959
Molecular FormulaC10H14S
Molecular Weight166.29 g/mol
Exact Mass166.08
IUPAC Name3-(cyclobutylmethyl)-2-methylthiophene
SMILESCc1sccc1CC1CCC1
InChIInChI=1S/C10H14S/c1-8-10(5-6-11-8)7-9-3-2-4-9/h5-6,9H,2-4,7H2,1H3
InChIKeyKXXVUMZVSOQDAA-UHFFFAOYSA-N
XLogP3.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.29
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclobutylmethyl)-2-methylthiophene?
The IUPAC name of 3-(cyclobutylmethyl)-2-methylthiophene (CID 18942959) is 3-(cyclobutylmethyl)-2-methylthiophene.
What is the SMILES notation for 3-(cyclobutylmethyl)-2-methylthiophene?
The canonical SMILES for 3-(cyclobutylmethyl)-2-methylthiophene is Cc1sccc1CC1CCC1.
What is the InChIKey of 3-(cyclobutylmethyl)-2-methylthiophene?
The InChIKey is KXXVUMZVSOQDAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14S/c1-8-10(5-6-11-8)7-9-3-2-4-9/h5-6,9H,2-4,7H2,1H3.
What are the key properties of 3-(cyclobutylmethyl)-2-methylthiophene?
3-(cyclobutylmethyl)-2-methylthiophene has a molecular weight of 166.29 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclobutylmethyl)-2-methylthiophene is sourced from PubChem (CID 18942959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).