6-[1-(2-trimethylsilylethynyl)cyclopropyl]hex-4-ynal

C14H20OSi — CID 88989312

IUPAC6-[1-(2-trimethylsilylethynyl)cyclopropyl]hex-4-ynal
SMILESC[Si](C)(C)C#CC1(CC#CCCC=O)CC1
InChIInChI=1S/C14H20OSi/c1-16(2,3)13-11-14(9-10-14)8-6-4-5-7-12-15/h12H,5,7-10H2,1-3H3
InChIKeyKAULVCACAZDCPE-UHFFFAOYSA-N
MW232.40 g/mol
LogP3.02
Rot. Bonds3

About 6-[1-(2-trimethylsilylethynyl)cyclopropyl]hex-4-ynal

6-[1-(2-trimethylsilylethynyl)cyclopropyl]hex-4-ynal (PubChem CID 88989312) has the molecular formula C14H20OSi and a molecular weight of 232.40 g/mol. Its IUPAC name is 6-[1-(2-trimethylsilylethynyl)cyclopropyl]hex-4-ynal.

Molecular Properties

Compound Name6-[1-(2-trimethylsilylethynyl)cyclopropyl]hex-4-ynal
PubChem CID88989312
Molecular FormulaC14H20OSi
Molecular Weight232.40 g/mol
Exact Mass232.13
IUPAC Name6-[1-(2-trimethylsilylethynyl)cyclopropyl]hex-4-ynal
SMILESC[Si](C)(C)C#CC1(CC#CCCC=O)CC1
InChIInChI=1S/C14H20OSi/c1-16(2,3)13-11-14(9-10-14)8-6-4-5-7-12-15/h12H,5,7-10H2,1-3H3
InChIKeyKAULVCACAZDCPE-UHFFFAOYSA-N
XLogP3.02
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.40
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 6-[1-(2-trimethylsilylethynyl)cyclopropyl]hex-4-ynal 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 6-[1-(2-trimethylsilylethynyl)cyclopropyl]hex-4-ynal?
The IUPAC name of 6-[1-(2-trimethylsilylethynyl)cyclopropyl]hex-4-ynal (CID 88989312) is 6-[1-(2-trimethylsilylethynyl)cyclopropyl]hex-4-ynal.
What is the SMILES notation for 6-[1-(2-trimethylsilylethynyl)cyclopropyl]hex-4-ynal?
The canonical SMILES for 6-[1-(2-trimethylsilylethynyl)cyclopropyl]hex-4-ynal is C[Si](C)(C)C#CC1(CC#CCCC=O)CC1.
What is the InChIKey of 6-[1-(2-trimethylsilylethynyl)cyclopropyl]hex-4-ynal?
The InChIKey is KAULVCACAZDCPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20OSi/c1-16(2,3)13-11-14(9-10-14)8-6-4-5-7-12-15/h12H,5,7-10H2,1-3H3.
What are the key properties of 6-[1-(2-trimethylsilylethynyl)cyclopropyl]hex-4-ynal?
6-[1-(2-trimethylsilylethynyl)cyclopropyl]hex-4-ynal has a molecular weight of 232.40 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(2-trimethylsilylethynyl)cyclopropyl]hex-4-ynal is sourced from PubChem (CID 88989312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).