5-pentan-2-yl-2,3-dihydrothiophene

C9H16S — CID 69165985

IUPAC5-pentan-2-yl-2,3-dihydrothiophene
SMILESCCCC(C)C1=CCCS1
InChIInChI=1S/C9H16S/c1-3-5-8(2)9-6-4-7-10-9/h6,8H,3-5,7H2,1-2H3
InChIKeyFSOPWHSIMHWMCO-UHFFFAOYSA-N
MW156.29 g/mol
LogP3.44
Rot. Bonds3

About 5-pentan-2-yl-2,3-dihydrothiophene

5-pentan-2-yl-2,3-dihydrothiophene (PubChem CID 69165985) has the molecular formula C9H16S and a molecular weight of 156.29 g/mol. Its IUPAC name is 5-pentan-2-yl-2,3-dihydrothiophene.

Molecular Properties

Compound Name5-pentan-2-yl-2,3-dihydrothiophene
PubChem CID69165985
Molecular FormulaC9H16S
Molecular Weight156.29 g/mol
Exact Mass156.10
IUPAC Name5-pentan-2-yl-2,3-dihydrothiophene
SMILESCCCC(C)C1=CCCS1
InChIInChI=1S/C9H16S/c1-3-5-8(2)9-6-4-7-10-9/h6,8H,3-5,7H2,1-2H3
InChIKeyFSOPWHSIMHWMCO-UHFFFAOYSA-N
XLogP3.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.29
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-pentan-2-yl-2,3-dihydrothiophene?
The IUPAC name of 5-pentan-2-yl-2,3-dihydrothiophene (CID 69165985) is 5-pentan-2-yl-2,3-dihydrothiophene.
What is the SMILES notation for 5-pentan-2-yl-2,3-dihydrothiophene?
The canonical SMILES for 5-pentan-2-yl-2,3-dihydrothiophene is CCCC(C)C1=CCCS1.
What is the InChIKey of 5-pentan-2-yl-2,3-dihydrothiophene?
The InChIKey is FSOPWHSIMHWMCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16S/c1-3-5-8(2)9-6-4-7-10-9/h6,8H,3-5,7H2,1-2H3.
What are the key properties of 5-pentan-2-yl-2,3-dihydrothiophene?
5-pentan-2-yl-2,3-dihydrothiophene has a molecular weight of 156.29 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pentan-2-yl-2,3-dihydrothiophene is sourced from PubChem (CID 69165985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).