benzyl-[2-(benzyl-decyl-fluorosilyl)ethynyl]-decyl-fluorosilane

C36H56F2Si2 — CID 139634074

IUPACbenzyl-[2-(benzyl-decyl-fluorosilyl)ethynyl]-decyl-fluorosilane
SMILESCCCCCCCCCC[Si](F)(C#C[Si](F)(CCCCCCCCCC)Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C36H56F2Si2/c1-3-5-7-9-11-13-15-23-29-39(37,33-35-25-19-17-20-26-35)31-32-40(38,34-36-27-21-18-22-28-36)30-24-16-14-12-10-8-6-4-2/h17-22,25-28H,3-16,23-24,29-30,33-34H2,1-2H3
InChIKeyQVRGJUQEOVYLOI-UHFFFAOYSA-N
MW583.01 g/mol
LogP11.74
Rot. Bonds22

About benzyl-[2-(benzyl-decyl-fluorosilyl)ethynyl]-decyl-fluorosilane

benzyl-[2-(benzyl-decyl-fluorosilyl)ethynyl]-decyl-fluorosilane (PubChem CID 139634074) has the molecular formula C36H56F2Si2 and a molecular weight of 583.01 g/mol. Its IUPAC name is benzyl-[2-(benzyl-decyl-fluorosilyl)ethynyl]-decyl-fluorosilane.

Molecular Properties

Compound Namebenzyl-[2-(benzyl-decyl-fluorosilyl)ethynyl]-decyl-fluorosilane
PubChem CID139634074
Molecular FormulaC36H56F2Si2
Molecular Weight583.01 g/mol
Exact Mass582.39
IUPAC Namebenzyl-[2-(benzyl-decyl-fluorosilyl)ethynyl]-decyl-fluorosilane
SMILESCCCCCCCCCC[Si](F)(C#C[Si](F)(CCCCCCCCCC)Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C36H56F2Si2/c1-3-5-7-9-11-13-15-23-29-39(37,33-35-25-19-17-20-26-35)31-32-40(38,34-36-27-21-18-22-28-36)30-24-16-14-12-10-8-6-4-2/h17-22,25-28H,3-16,23-24,29-30,33-34H2,1-2H3
InChIKeyQVRGJUQEOVYLOI-UHFFFAOYSA-N
XLogP11.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds22
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.01
LogP ≤ 511.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

benzyl(tributyl)silane
CID 14614990
[dihexyl(phenyl)silyl]-dihexyl-phenylsilane
CID 12059876
benzyl-dihexyl-prop-2-enylsilane
CID 175535651
hexakis(decane);ethylbenzene
CID 173398562
octylbenzene
CID 16607
octacosylbenzene
CID 14228596
pentadecane;pentadecylbenzene
CID 174970881
octaoctacontylbenzene
CID 165359374
pentanonacontylbenzene
CID 165359347
heptadecyl(triphenyl)silane
CID 4520075
2,3-dimethylbuta-1,3-diene;ethylbenzene;methane;octane
CID 145403273
hexylbenzene;hydrogen peroxide
CID 90001206

Frequently Asked Questions

What is the IUPAC name of benzyl-[2-(benzyl-decyl-fluorosilyl)ethynyl]-decyl-fluorosilane?
The IUPAC name of benzyl-[2-(benzyl-decyl-fluorosilyl)ethynyl]-decyl-fluorosilane (CID 139634074) is benzyl-[2-(benzyl-decyl-fluorosilyl)ethynyl]-decyl-fluorosilane.
What is the SMILES notation for benzyl-[2-(benzyl-decyl-fluorosilyl)ethynyl]-decyl-fluorosilane?
The canonical SMILES for benzyl-[2-(benzyl-decyl-fluorosilyl)ethynyl]-decyl-fluorosilane is CCCCCCCCCC[Si](F)(C#C[Si](F)(CCCCCCCCCC)Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of benzyl-[2-(benzyl-decyl-fluorosilyl)ethynyl]-decyl-fluorosilane?
The InChIKey is QVRGJUQEOVYLOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H56F2Si2/c1-3-5-7-9-11-13-15-23-29-39(37,33-35-25-19-17-20-26-35)31-32-40(38,34-36-27-21-18-22-28-36)30-24-16-14-12-10-8-6-4-2/h17-22,25-28H,3-16,23-24,29-30,33-34H2,1-2H3.
What are the key properties of benzyl-[2-(benzyl-decyl-fluorosilyl)ethynyl]-decyl-fluorosilane?
benzyl-[2-(benzyl-decyl-fluorosilyl)ethynyl]-decyl-fluorosilane has a molecular weight of 583.01 g/mol, XLogP of 11.74, 22 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-[2-(benzyl-decyl-fluorosilyl)ethynyl]-decyl-fluorosilane is sourced from PubChem (CID 139634074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).