3-phenyl-7-trimethylsilylhept-5-ynal

C16H22OSi — CID 10753719

IUPAC3-phenyl-7-trimethylsilylhept-5-ynal
SMILESC[Si](C)(C)CC#CCC(CC=O)c1ccccc1
InChIInChI=1S/C16H22OSi/c1-18(2,3)14-8-7-11-16(12-13-17)15-9-5-4-6-10-15/h4-6,9-10,13,16H,11-12,14H2,1-3H3
InChIKeyBXCIPQASYVRYTI-UHFFFAOYSA-N
MW258.44 g/mol
LogP4.09
Rot. Bonds5

About 3-phenyl-7-trimethylsilylhept-5-ynal

3-phenyl-7-trimethylsilylhept-5-ynal (PubChem CID 10753719) has the molecular formula C16H22OSi and a molecular weight of 258.44 g/mol. Its IUPAC name is 3-phenyl-7-trimethylsilylhept-5-ynal.

Molecular Properties

Compound Name3-phenyl-7-trimethylsilylhept-5-ynal
PubChem CID10753719
Molecular FormulaC16H22OSi
Molecular Weight258.44 g/mol
Exact Mass258.14
IUPAC Name3-phenyl-7-trimethylsilylhept-5-ynal
SMILESC[Si](C)(C)CC#CCC(CC=O)c1ccccc1
InChIInChI=1S/C16H22OSi/c1-18(2,3)14-8-7-11-16(12-13-17)15-9-5-4-6-10-15/h4-6,9-10,13,16H,11-12,14H2,1-3H3
InChIKeyBXCIPQASYVRYTI-UHFFFAOYSA-N
XLogP4.09
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.44
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-phenyl-7-trimethylsilylhept-5-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 3-phenyl-7-trimethylsilylhept-5-ynal?
The IUPAC name of 3-phenyl-7-trimethylsilylhept-5-ynal (CID 10753719) is 3-phenyl-7-trimethylsilylhept-5-ynal.
What is the SMILES notation for 3-phenyl-7-trimethylsilylhept-5-ynal?
The canonical SMILES for 3-phenyl-7-trimethylsilylhept-5-ynal is C[Si](C)(C)CC#CCC(CC=O)c1ccccc1.
What is the InChIKey of 3-phenyl-7-trimethylsilylhept-5-ynal?
The InChIKey is BXCIPQASYVRYTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22OSi/c1-18(2,3)14-8-7-11-16(12-13-17)15-9-5-4-6-10-15/h4-6,9-10,13,16H,11-12,14H2,1-3H3.
What are the key properties of 3-phenyl-7-trimethylsilylhept-5-ynal?
3-phenyl-7-trimethylsilylhept-5-ynal has a molecular weight of 258.44 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-7-trimethylsilylhept-5-ynal is sourced from PubChem (CID 10753719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).