1-fluorobutyl-dimethyl-octacosoxysilane

C34H71FOSi — CID 87928897

IUPAC1-fluorobutyl-dimethyl-octacosoxysilane
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCO[Si](C)(C)C(F)CCC
InChIInChI=1S/C34H71FOSi/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-33-36-37(3,4)34(35)32-6-2/h34H,5-33H2,1-4H3
InChIKeyAPZOXZLGMITWCE-UHFFFAOYSA-N
MW543.03 g/mol
LogP13.05
Rot. Bonds31

About 1-fluorobutyl-dimethyl-octacosoxysilane

1-fluorobutyl-dimethyl-octacosoxysilane (PubChem CID 87928897) has the molecular formula C34H71FOSi and a molecular weight of 543.03 g/mol. Its IUPAC name is 1-fluorobutyl-dimethyl-octacosoxysilane.

Molecular Properties

Compound Name1-fluorobutyl-dimethyl-octacosoxysilane
PubChem CID87928897
Molecular FormulaC34H71FOSi
Molecular Weight543.03 g/mol
Exact Mass542.53
IUPAC Name1-fluorobutyl-dimethyl-octacosoxysilane
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCO[Si](C)(C)C(F)CCC
InChIInChI=1S/C34H71FOSi/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-33-36-37(3,4)34(35)32-6-2/h34H,5-33H2,1-4H3
InChIKeyAPZOXZLGMITWCE-UHFFFAOYSA-N
XLogP13.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds31
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.03
LogP ≤ 513.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-fluorobutyl-dimethyl-octacosoxysilane?
The IUPAC name of 1-fluorobutyl-dimethyl-octacosoxysilane (CID 87928897) is 1-fluorobutyl-dimethyl-octacosoxysilane.
What is the SMILES notation for 1-fluorobutyl-dimethyl-octacosoxysilane?
The canonical SMILES for 1-fluorobutyl-dimethyl-octacosoxysilane is CCCCCCCCCCCCCCCCCCCCCCCCCCCCO[Si](C)(C)C(F)CCC.
What is the InChIKey of 1-fluorobutyl-dimethyl-octacosoxysilane?
The InChIKey is APZOXZLGMITWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H71FOSi/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-33-36-37(3,4)34(35)32-6-2/h34H,5-33H2,1-4H3.
What are the key properties of 1-fluorobutyl-dimethyl-octacosoxysilane?
1-fluorobutyl-dimethyl-octacosoxysilane has a molecular weight of 543.03 g/mol, XLogP of 13.05, 31 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluorobutyl-dimethyl-octacosoxysilane is sourced from PubChem (CID 87928897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).