5-(2,3-dihydrothiophen-2-yl)pentan-2-one

C9H14OS — CID 70328768

IUPAC5-(2,3-dihydrothiophen-2-yl)pentan-2-one
SMILESCC(=O)CCCC1CC=CS1
InChIInChI=1S/C9H14OS/c1-8(10)4-2-5-9-6-3-7-11-9/h3,7,9H,2,4-6H2,1H3
InChIKeyWHNMGZSTLRHQQE-UHFFFAOYSA-N
MW170.28 g/mol
LogP2.76
Rot. Bonds4

About 5-(2,3-dihydrothiophen-2-yl)pentan-2-one

5-(2,3-dihydrothiophen-2-yl)pentan-2-one (PubChem CID 70328768) has the molecular formula C9H14OS and a molecular weight of 170.28 g/mol. Its IUPAC name is 5-(2,3-dihydrothiophen-2-yl)pentan-2-one.

Molecular Properties

Compound Name5-(2,3-dihydrothiophen-2-yl)pentan-2-one
PubChem CID70328768
Molecular FormulaC9H14OS
Molecular Weight170.28 g/mol
Exact Mass170.08
IUPAC Name5-(2,3-dihydrothiophen-2-yl)pentan-2-one
SMILESCC(=O)CCCC1CC=CS1
InChIInChI=1S/C9H14OS/c1-8(10)4-2-5-9-6-3-7-11-9/h3,7,9H,2,4-6H2,1H3
InChIKeyWHNMGZSTLRHQQE-UHFFFAOYSA-N
XLogP2.76
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydrothiophen-2-yl)pentan-2-one?
The IUPAC name of 5-(2,3-dihydrothiophen-2-yl)pentan-2-one (CID 70328768) is 5-(2,3-dihydrothiophen-2-yl)pentan-2-one.
What is the SMILES notation for 5-(2,3-dihydrothiophen-2-yl)pentan-2-one?
The canonical SMILES for 5-(2,3-dihydrothiophen-2-yl)pentan-2-one is CC(=O)CCCC1CC=CS1.
What is the InChIKey of 5-(2,3-dihydrothiophen-2-yl)pentan-2-one?
The InChIKey is WHNMGZSTLRHQQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14OS/c1-8(10)4-2-5-9-6-3-7-11-9/h3,7,9H,2,4-6H2,1H3.
What are the key properties of 5-(2,3-dihydrothiophen-2-yl)pentan-2-one?
5-(2,3-dihydrothiophen-2-yl)pentan-2-one has a molecular weight of 170.28 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydrothiophen-2-yl)pentan-2-one is sourced from PubChem (CID 70328768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).