3-non-5-ynylthiophene-2-carbaldehyde

C14H18OS — CID 18373118

IUPAC3-non-5-ynylthiophene-2-carbaldehyde
SMILESCCCC#CCCCCc1ccsc1C=O
InChIInChI=1S/C14H18OS/c1-2-3-4-5-6-7-8-9-13-10-11-16-14(13)12-15/h10-12H,2-3,6-9H2,1H3
InChIKeyGRCGXLAQJBHXJQ-UHFFFAOYSA-N
MW234.36 g/mol
LogP4.08
Rot. Bonds6

About 3-non-5-ynylthiophene-2-carbaldehyde

3-non-5-ynylthiophene-2-carbaldehyde (PubChem CID 18373118) has the molecular formula C14H18OS and a molecular weight of 234.36 g/mol. Its IUPAC name is 3-non-5-ynylthiophene-2-carbaldehyde.

Molecular Properties

Compound Name3-non-5-ynylthiophene-2-carbaldehyde
PubChem CID18373118
Molecular FormulaC14H18OS
Molecular Weight234.36 g/mol
Exact Mass234.11
IUPAC Name3-non-5-ynylthiophene-2-carbaldehyde
SMILESCCCC#CCCCCc1ccsc1C=O
InChIInChI=1S/C14H18OS/c1-2-3-4-5-6-7-8-9-13-10-11-16-14(13)12-15/h10-12H,2-3,6-9H2,1H3
InChIKeyGRCGXLAQJBHXJQ-UHFFFAOYSA-N
XLogP4.08
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 54.08
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 3-non-5-ynylthiophene-2-carbaldehyde with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-non-5-ynylthiophene-2-carbaldehyde?
The IUPAC name of 3-non-5-ynylthiophene-2-carbaldehyde (CID 18373118) is 3-non-5-ynylthiophene-2-carbaldehyde.
What is the SMILES notation for 3-non-5-ynylthiophene-2-carbaldehyde?
The canonical SMILES for 3-non-5-ynylthiophene-2-carbaldehyde is CCCC#CCCCCc1ccsc1C=O.
What is the InChIKey of 3-non-5-ynylthiophene-2-carbaldehyde?
The InChIKey is GRCGXLAQJBHXJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18OS/c1-2-3-4-5-6-7-8-9-13-10-11-16-14(13)12-15/h10-12H,2-3,6-9H2,1H3.
What are the key properties of 3-non-5-ynylthiophene-2-carbaldehyde?
3-non-5-ynylthiophene-2-carbaldehyde has a molecular weight of 234.36 g/mol, XLogP of 4.08, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-non-5-ynylthiophene-2-carbaldehyde is sourced from PubChem (CID 18373118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).