5-pentan-3-ylthiophene-3-carbaldehyde

C10H14OS — CID 82407564

IUPAC5-pentan-3-ylthiophene-3-carbaldehyde
SMILESCCC(CC)c1cc(C=O)cs1
InChIInChI=1S/C10H14OS/c1-3-9(4-2)10-5-8(6-11)7-12-10/h5-7,9H,3-4H2,1-2H3
InChIKeyCDVYOIUEKFRXJE-UHFFFAOYSA-N
MW182.29 g/mol
LogP3.46
Rot. Bonds4

About 5-pentan-3-ylthiophene-3-carbaldehyde

5-pentan-3-ylthiophene-3-carbaldehyde (PubChem CID 82407564) has the molecular formula C10H14OS and a molecular weight of 182.29 g/mol. Its IUPAC name is 5-pentan-3-ylthiophene-3-carbaldehyde.

Molecular Properties

Compound Name5-pentan-3-ylthiophene-3-carbaldehyde
PubChem CID82407564
Molecular FormulaC10H14OS
Molecular Weight182.29 g/mol
Exact Mass182.08
IUPAC Name5-pentan-3-ylthiophene-3-carbaldehyde
SMILESCCC(CC)c1cc(C=O)cs1
InChIInChI=1S/C10H14OS/c1-3-9(4-2)10-5-8(6-11)7-12-10/h5-7,9H,3-4H2,1-2H3
InChIKeyCDVYOIUEKFRXJE-UHFFFAOYSA-N
XLogP3.46
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-2-pentan-3-ylthiophene
CID 82390181
5-butylthiophene-3-carbaldehyde
CID 91750489
5-[(dimethylamino)methyl]thiophene-3-carbaldehyde
CID 82412716
5-sulfanylthiophene-3-carbaldehyde
CID 139909673
3-bromo-4-pentan-3-ylbenzaldehyde
CID 83844091
4-bromo-2-methylthiophene;5-methylthiophene-3-carbaldehyde
CID 158194298
4-hexan-3-ylbenzaldehyde
CID 142249319
5-[2-(dimethylamino)acetyl]thiophene-3-carbaldehyde
CID 55271946
4-dodecan-3-ylbenzaldehyde
CID 57123935
(4-formylthiophen-2-yl)boronic acid
CID 21465556
3-thiophen-2-ylpentanal
CID 83827070
5-(2-trimethylsilylethynyl)thiophene-3-carbaldehyde
CID 167716780

Frequently Asked Questions

What is the IUPAC name of 5-pentan-3-ylthiophene-3-carbaldehyde?
The IUPAC name of 5-pentan-3-ylthiophene-3-carbaldehyde (CID 82407564) is 5-pentan-3-ylthiophene-3-carbaldehyde.
What is the SMILES notation for 5-pentan-3-ylthiophene-3-carbaldehyde?
The canonical SMILES for 5-pentan-3-ylthiophene-3-carbaldehyde is CCC(CC)c1cc(C=O)cs1.
What is the InChIKey of 5-pentan-3-ylthiophene-3-carbaldehyde?
The InChIKey is CDVYOIUEKFRXJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14OS/c1-3-9(4-2)10-5-8(6-11)7-12-10/h5-7,9H,3-4H2,1-2H3.
What are the key properties of 5-pentan-3-ylthiophene-3-carbaldehyde?
5-pentan-3-ylthiophene-3-carbaldehyde has a molecular weight of 182.29 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pentan-3-ylthiophene-3-carbaldehyde is sourced from PubChem (CID 82407564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).