trichloro(1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-pentacosafluorononacosan-13-yl)silane

C29H34Cl3F25Si — CID 175360578

About trichloro(1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-pentacosafluorononacosan-13-yl)silane

trichloro(1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-pentacosafluorononacosan-13-yl)silane (PubChem CID 175360578) has the molecular formula C29H34Cl3F25Si and a molecular weight of 991.99 g/mol. Its IUPAC name is trichloro(1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-pentacosafluorononacosan-13-yl)silane.

Molecular Properties

• Compound Name: trichloro(1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-pentacosafluorononacosan-13-yl)silane
• PubChem CID: 175360578
• Molecular Formula: C29H34Cl3F25Si
• Molecular Weight: 991.99 g/mol
• Exact Mass: 990.11
• IUPAC Name: trichloro(1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-pentacosafluorononacosan-13-yl)silane
• SMILES: CCCCCCCCCCCCCCCCC(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[Si](Cl)(Cl)Cl
• InChI: InChI=1S/C29H34Cl3F25Si/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(58(30,31)32)18(33,34)19(35,36)20(37,38)21(39,40)22(41,42)23(43,44)24(45,46)25(47,48)26(49,50)27(51,52)28(53,54)29(55,56)57/h17H,2-16H2,1H3
• InChIKey: BGNUPHHRZLQHRM-UHFFFAOYSA-N
• XLogP: 16.43
• TPSA: 0.00 Ų
• Rotatable Bonds: 27
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	991.99
LogP ≤ 5	16.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of trichloro(1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-pentacosafluorononacosan-13-yl)silane?

The IUPAC name of trichloro(1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-pentacosafluorononacosan-13-yl)silane (CID 175360578) is trichloro(1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-pentacosafluorononacosan-13-yl)silane.

What is the SMILES notation for trichloro(1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-pentacosafluorononacosan-13-yl)silane?

The canonical SMILES for trichloro(1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-pentacosafluorononacosan-13-yl)silane is CCCCCCCCCCCCCCCCC(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[Si](Cl)(Cl)Cl.

What is the InChIKey of trichloro(1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-pentacosafluorononacosan-13-yl)silane?

The InChIKey is BGNUPHHRZLQHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34Cl3F25Si/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(58(30,31)32)18(33,34)19(35,36)20(37,38)21(39,40)22(41,42)23(43,44)24(45,46)25(47,48)26(49,50)27(51,52)28(53,54)29(55,56)57/h17H,2-16H2,1H3.

What are the key properties of trichloro(1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-pentacosafluorononacosan-13-yl)silane?

trichloro(1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-pentacosafluorononacosan-13-yl)silane has a molecular weight of 991.99 g/mol, XLogP of 16.43, 27 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for trichloro(1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-pentacosafluorononacosan-13-yl)silane is sourced from PubChem (CID 175360578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).