5-thiophen-3-ylpentanal

C9H12OS — CID 15807672

IUPAC5-thiophen-3-ylpentanal
SMILESO=CCCCCc1ccsc1
InChIInChI=1S/C9H12OS/c10-6-3-1-2-4-9-5-7-11-8-9/h5-8H,1-4H2
InChIKeyKQVRQQMIUKEAMY-UHFFFAOYSA-N
MW168.26 g/mol
LogP2.66
Rot. Bonds5

About 5-thiophen-3-ylpentanal

5-thiophen-3-ylpentanal (PubChem CID 15807672) has the molecular formula C9H12OS and a molecular weight of 168.26 g/mol. Its IUPAC name is 5-thiophen-3-ylpentanal.

Molecular Properties

Compound Name5-thiophen-3-ylpentanal
PubChem CID15807672
Molecular FormulaC9H12OS
Molecular Weight168.26 g/mol
Exact Mass168.06
IUPAC Name5-thiophen-3-ylpentanal
SMILESO=CCCCCc1ccsc1
InChIInChI=1S/C9H12OS/c10-6-3-1-2-4-9-5-7-11-8-9/h5-8H,1-4H2
InChIKeyKQVRQQMIUKEAMY-UHFFFAOYSA-N
XLogP2.66
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.26
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-hexadec-15-enylthiophene
CID 139794200
3-heptylthiophene;oxaldehyde
CID 175169306
5-[4-(4-oxobutyl)phenyl]pentanal
CID 86059297
4-thiophen-3-ylbutan-1-ol
CID 54222621
3-heptylthiophene;3-hexylthiophene
CID 159152668
12-thiophen-3-yldodecan-1-ol
CID 67533520
3-(6-bromohexyl)thiophene
CID 11447992
12-thiophen-3-yldodecane-1-thiol
CID 71363861
5-thiophen-3-ylpentanamide
CID 11171370
6-thiophen-3-ylhexanoic acid
CID 24722734
8-thiophen-3-yloctane-1-sulfonic acid
CID 87451833
N-(2-thiophen-3-ylethyl)hept-6-en-1-amine
CID 107006689

Frequently Asked Questions

What is the IUPAC name of 5-thiophen-3-ylpentanal?
The IUPAC name of 5-thiophen-3-ylpentanal (CID 15807672) is 5-thiophen-3-ylpentanal.
What is the SMILES notation for 5-thiophen-3-ylpentanal?
The canonical SMILES for 5-thiophen-3-ylpentanal is O=CCCCCc1ccsc1.
What is the InChIKey of 5-thiophen-3-ylpentanal?
The InChIKey is KQVRQQMIUKEAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12OS/c10-6-3-1-2-4-9-5-7-11-8-9/h5-8H,1-4H2.
What are the key properties of 5-thiophen-3-ylpentanal?
5-thiophen-3-ylpentanal has a molecular weight of 168.26 g/mol, XLogP of 2.66, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-thiophen-3-ylpentanal is sourced from PubChem (CID 15807672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).