3,3,4,4,5,5,6,6,7,7,8,8-dodecafluorodec-9-enyl-bis[[hydroxy(dimethyl)silyl]oxy]-methylsilane

C15H24F12O4Si3 — CID 21361130

About 3,3,4,4,5,5,6,6,7,7,8,8-dodecafluorodec-9-enyl-bis[[hydroxy(dimethyl)silyl]oxy]-methylsilane

3,3,4,4,5,5,6,6,7,7,8,8-dodecafluorodec-9-enyl-bis[[hydroxy(dimethyl)silyl]oxy]-methylsilane (PubChem CID 21361130) has the molecular formula C15H24F12O4Si3 and a molecular weight of 580.59 g/mol. Its IUPAC name is 3,3,4,4,5,5,6,6,7,7,8,8-dodecafluorodec-9-enyl-bis[[hydroxy(dimethyl)silyl]oxy]-methylsilane.

Molecular Properties

• Compound Name: 3,3,4,4,5,5,6,6,7,7,8,8-dodecafluorodec-9-enyl-bis[[hydroxy(dimethyl)silyl]oxy]-methylsilane
• PubChem CID: 21361130
• Molecular Formula: C15H24F12O4Si3
• Molecular Weight: 580.59 g/mol
• Exact Mass: 580.08
• IUPAC Name: 3,3,4,4,5,5,6,6,7,7,8,8-dodecafluorodec-9-enyl-bis[[hydroxy(dimethyl)silyl]oxy]-methylsilane
• SMILES: C=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC[Si](C)(O[Si](C)(C)O)O[Si](C)(C)O
• InChI: InChI=1S/C15H24F12O4Si3/c1-7-10(16,17)12(20,21)14(24,25)15(26,27)13(22,23)11(18,19)8-9-34(6,30-32(2,3)28)31-33(4,5)29/h7,28-29H,1,8-9H2,2-6H3
• InChIKey: MYZZYILWVLPDJK-UHFFFAOYSA-N
• XLogP: 5.87
• TPSA: 58.92 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 13
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	580.59
LogP ≤ 5	5.87
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3,3,4,4,5,5,6,6,7,7,8,8-dodecafluorodec-9-enyl-bis[[hydroxy(dimethyl)silyl]oxy]-methylsilane?

The IUPAC name of 3,3,4,4,5,5,6,6,7,7,8,8-dodecafluorodec-9-enyl-bis[[hydroxy(dimethyl)silyl]oxy]-methylsilane (CID 21361130) is 3,3,4,4,5,5,6,6,7,7,8,8-dodecafluorodec-9-enyl-bis[[hydroxy(dimethyl)silyl]oxy]-methylsilane.

What is the SMILES notation for 3,3,4,4,5,5,6,6,7,7,8,8-dodecafluorodec-9-enyl-bis[[hydroxy(dimethyl)silyl]oxy]-methylsilane?

The canonical SMILES for 3,3,4,4,5,5,6,6,7,7,8,8-dodecafluorodec-9-enyl-bis[[hydroxy(dimethyl)silyl]oxy]-methylsilane is C=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC[Si](C)(O[Si](C)(C)O)O[Si](C)(C)O.

What is the InChIKey of 3,3,4,4,5,5,6,6,7,7,8,8-dodecafluorodec-9-enyl-bis[[hydroxy(dimethyl)silyl]oxy]-methylsilane?

The InChIKey is MYZZYILWVLPDJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F12O4Si3/c1-7-10(16,17)12(20,21)14(24,25)15(26,27)13(22,23)11(18,19)8-9-34(6,30-32(2,3)28)31-33(4,5)29/h7,28-29H,1,8-9H2,2-6H3.

What are the key properties of 3,3,4,4,5,5,6,6,7,7,8,8-dodecafluorodec-9-enyl-bis[[hydroxy(dimethyl)silyl]oxy]-methylsilane?

3,3,4,4,5,5,6,6,7,7,8,8-dodecafluorodec-9-enyl-bis[[hydroxy(dimethyl)silyl]oxy]-methylsilane has a molecular weight of 580.59 g/mol, XLogP of 5.87, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3,3,4,4,5,5,6,6,7,7,8,8-dodecafluorodec-9-enyl-bis[[hydroxy(dimethyl)silyl]oxy]-methylsilane is sourced from PubChem (CID 21361130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).