4-methyl-2-(2-methylpropyl)thiophene-3-carbaldehyde

C10H14OS — CID 82407562

IUPAC4-methyl-2-(2-methylpropyl)thiophene-3-carbaldehyde
SMILESCc1csc(CC(C)C)c1C=O
InChIInChI=1S/C10H14OS/c1-7(2)4-10-9(5-11)8(3)6-12-10/h5-7H,4H2,1-3H3
InChIKeyXYNINMFOKSFQOS-UHFFFAOYSA-N
MW182.29 g/mol
LogP3.07
Rot. Bonds3

About 4-methyl-2-(2-methylpropyl)thiophene-3-carbaldehyde

4-methyl-2-(2-methylpropyl)thiophene-3-carbaldehyde (PubChem CID 82407562) has the molecular formula C10H14OS and a molecular weight of 182.29 g/mol. Its IUPAC name is 4-methyl-2-(2-methylpropyl)thiophene-3-carbaldehyde.

Molecular Properties

Compound Name4-methyl-2-(2-methylpropyl)thiophene-3-carbaldehyde
PubChem CID82407562
Molecular FormulaC10H14OS
Molecular Weight182.29 g/mol
Exact Mass182.08
IUPAC Name4-methyl-2-(2-methylpropyl)thiophene-3-carbaldehyde
SMILESCc1csc(CC(C)C)c1C=O
InChIInChI=1S/C10H14OS/c1-7(2)4-10-9(5-11)8(3)6-12-10/h5-7H,4H2,1-3H3
InChIKeyXYNINMFOKSFQOS-UHFFFAOYSA-N
XLogP3.07
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-methyl-2-(2-methylpropyl)thiophene-3-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-iodo-4-methylthiophene-3-carbaldehyde
CID 139709578
2,4-dimethylthiophene-3-carbaldehyde;methanamine
CID 143797025
6-ethyl-3-methyl-1-benzothiophene-7-carbaldehyde
CID 130913484
3-methyl-2-[4-methyl-3-(2-methylpropyl)thiophen-2-yl]-4-(2-methylpropyl)thiophene
CID 56652497
2-(2-methylphenyl)-5-(2-methylpropyl)-1,3-thiazole-4-carbaldehyde
CID 89093508
3-bromo-6-fluoro-2-(2-methylpropyl)benzaldehyde
CID 123976230
N-[(3-chloro-4-methylthiophen-2-yl)methyl]-N'-(2-methylpropyl)ethane-1,2-diamine
CID 103401528
2-(4-methylphenyl)-5-(2-methylpropyl)-1,3-thiazole-4-carbaldehyde
CID 89093505
3-ethyl-4-methylthiophene-2-carbaldehyde
CID 82416519
4-methyl-5-(2-methylpropyl)thiophene-2-carboxylic acid
CID 79989991
6-(hydroxymethyl)-3-methyl-1-benzothiophene-7-carbaldehyde
CID 130914822
4-methyl-N-propan-2-yl-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 102751963

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2-methylpropyl)thiophene-3-carbaldehyde?
The IUPAC name of 4-methyl-2-(2-methylpropyl)thiophene-3-carbaldehyde (CID 82407562) is 4-methyl-2-(2-methylpropyl)thiophene-3-carbaldehyde.
What is the SMILES notation for 4-methyl-2-(2-methylpropyl)thiophene-3-carbaldehyde?
The canonical SMILES for 4-methyl-2-(2-methylpropyl)thiophene-3-carbaldehyde is Cc1csc(CC(C)C)c1C=O.
What is the InChIKey of 4-methyl-2-(2-methylpropyl)thiophene-3-carbaldehyde?
The InChIKey is XYNINMFOKSFQOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14OS/c1-7(2)4-10-9(5-11)8(3)6-12-10/h5-7H,4H2,1-3H3.
What are the key properties of 4-methyl-2-(2-methylpropyl)thiophene-3-carbaldehyde?
4-methyl-2-(2-methylpropyl)thiophene-3-carbaldehyde has a molecular weight of 182.29 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2-methylpropyl)thiophene-3-carbaldehyde is sourced from PubChem (CID 82407562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).