10-(5-formylthiophen-2-yl)decanoic acid

C15H22O3S — CID 20555746

IUPAC10-(5-formylthiophen-2-yl)decanoic acid
SMILESO=Cc1ccc(CCCCCCCCCC(=O)O)s1
InChIInChI=1S/C15H22O3S/c16-12-14-11-10-13(19-14)8-6-4-2-1-3-5-7-9-15(17)18/h10-12H,1-9H2,(H,17,18)
InChIKeyZECZVDRQCSVEEJ-UHFFFAOYSA-N
MW282.40 g/mol
LogP4.31
Rot. Bonds11

About 10-(5-formylthiophen-2-yl)decanoic acid

10-(5-formylthiophen-2-yl)decanoic acid (PubChem CID 20555746) has the molecular formula C15H22O3S and a molecular weight of 282.40 g/mol. Its IUPAC name is 10-(5-formylthiophen-2-yl)decanoic acid.

Molecular Properties

Compound Name10-(5-formylthiophen-2-yl)decanoic acid
PubChem CID20555746
Molecular FormulaC15H22O3S
Molecular Weight282.40 g/mol
Exact Mass282.13
IUPAC Name10-(5-formylthiophen-2-yl)decanoic acid
SMILESO=Cc1ccc(CCCCCCCCCC(=O)O)s1
InChIInChI=1S/C15H22O3S/c16-12-14-11-10-13(19-14)8-6-4-2-1-3-5-7-9-15(17)18/h10-12H,1-9H2,(H,17,18)
InChIKeyZECZVDRQCSVEEJ-UHFFFAOYSA-N
XLogP4.31
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.40
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(5-formylthiophen-2-yl)propanoic acid
CID 15115397
8-[5-(4-carboxybutyl)thiophen-2-yl]octanoic acid
CID 4270643
5-(5-fluoropentyl)thiophene-2-carbaldehyde
CID 118228976
6-(5-chlorothiophen-2-yl)hexanoic acid
CID 43446917
5-(6-methylheptyl)thiophene-2-carbaldehyde
CID 174915390
7-[5-(3-hydroxyoct-1-enyl)thiophen-2-yl]heptanoic acid
CID 54320936
sodium;hydride;5-[5-(6-phenylhexyl)thiophen-2-yl]pentanoic acid
CID 173398907
6-[5-(N-hydroxy-C-methylcarbonimidoyl)thiophen-2-yl]hexanoic acid
CID 593072
(E)-3-(5-heptylthiophen-2-yl)prop-2-enoic acid
CID 15919237
azane;tridecanedioic acid
CID 174979532
azane;decanedioic acid;nonanedioic acid
CID 174896485
CID 85472248
CID 85472248

Frequently Asked Questions

What is the IUPAC name of 10-(5-formylthiophen-2-yl)decanoic acid?
The IUPAC name of 10-(5-formylthiophen-2-yl)decanoic acid (CID 20555746) is 10-(5-formylthiophen-2-yl)decanoic acid.
What is the SMILES notation for 10-(5-formylthiophen-2-yl)decanoic acid?
The canonical SMILES for 10-(5-formylthiophen-2-yl)decanoic acid is O=Cc1ccc(CCCCCCCCCC(=O)O)s1.
What is the InChIKey of 10-(5-formylthiophen-2-yl)decanoic acid?
The InChIKey is ZECZVDRQCSVEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3S/c16-12-14-11-10-13(19-14)8-6-4-2-1-3-5-7-9-15(17)18/h10-12H,1-9H2,(H,17,18).
What are the key properties of 10-(5-formylthiophen-2-yl)decanoic acid?
10-(5-formylthiophen-2-yl)decanoic acid has a molecular weight of 282.40 g/mol, XLogP of 4.31, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(5-formylthiophen-2-yl)decanoic acid is sourced from PubChem (CID 20555746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).