2-propyl-1-thiophen-2-ylpentan-1-one

C12H18OS — CID 14709532

IUPAC2-propyl-1-thiophen-2-ylpentan-1-one
SMILESCCCC(CCC)C(=O)c1cccs1
InChIInChI=1S/C12H18OS/c1-3-6-10(7-4-2)12(13)11-8-5-9-14-11/h5,8-10H,3-4,6-7H2,1-2H3
InChIKeyQTKIMTBSFQTKFO-UHFFFAOYSA-N
MW210.34 g/mol
LogP4.15
Rot. Bonds6

About 2-propyl-1-thiophen-2-ylpentan-1-one

2-propyl-1-thiophen-2-ylpentan-1-one (PubChem CID 14709532) has the molecular formula C12H18OS and a molecular weight of 210.34 g/mol. Its IUPAC name is 2-propyl-1-thiophen-2-ylpentan-1-one.

Molecular Properties

Compound Name2-propyl-1-thiophen-2-ylpentan-1-one
PubChem CID14709532
Molecular FormulaC12H18OS
Molecular Weight210.34 g/mol
Exact Mass210.11
IUPAC Name2-propyl-1-thiophen-2-ylpentan-1-one
SMILESCCCC(CCC)C(=O)c1cccs1
InChIInChI=1S/C12H18OS/c1-3-6-10(7-4-2)12(13)11-8-5-9-14-11/h5,8-10H,3-4,6-7H2,1-2H3
InChIKeyQTKIMTBSFQTKFO-UHFFFAOYSA-N
XLogP4.15
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.34
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propyl-1-thiophen-2-ylpentan-1-one?
The IUPAC name of 2-propyl-1-thiophen-2-ylpentan-1-one (CID 14709532) is 2-propyl-1-thiophen-2-ylpentan-1-one.
What is the SMILES notation for 2-propyl-1-thiophen-2-ylpentan-1-one?
The canonical SMILES for 2-propyl-1-thiophen-2-ylpentan-1-one is CCCC(CCC)C(=O)c1cccs1.
What is the InChIKey of 2-propyl-1-thiophen-2-ylpentan-1-one?
The InChIKey is QTKIMTBSFQTKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18OS/c1-3-6-10(7-4-2)12(13)11-8-5-9-14-11/h5,8-10H,3-4,6-7H2,1-2H3.
What are the key properties of 2-propyl-1-thiophen-2-ylpentan-1-one?
2-propyl-1-thiophen-2-ylpentan-1-one has a molecular weight of 210.34 g/mol, XLogP of 4.15, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-1-thiophen-2-ylpentan-1-one is sourced from PubChem (CID 14709532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).