decyl(triethoxy)silane;1-fluoroheptadecane

C33H71FO3Si — CID 175426991

IUPACdecyl(triethoxy)silane;1-fluoroheptadecane
SMILESCCCCCCCCCCCCCCCCCF.CCCCCCCCCC[Si](OCC)(OCC)OCC
InChIInChI=1S/C17H35F.C16H36O3Si/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18;1-5-9-10-11-12-13-14-15-16-20(17-6-2,18-7-3)19-8-4/h2-17H2,1H3;5-16H2,1-4H3
InChIKeyOMCKXJRDCZBSGQ-UHFFFAOYSA-N
MW563.01 g/mol
LogP12.00
Rot. Bonds30

About decyl(triethoxy)silane;1-fluoroheptadecane

decyl(triethoxy)silane;1-fluoroheptadecane (PubChem CID 175426991) has the molecular formula C33H71FO3Si and a molecular weight of 563.01 g/mol. Its IUPAC name is decyl(triethoxy)silane;1-fluoroheptadecane.

Molecular Properties

Compound Namedecyl(triethoxy)silane;1-fluoroheptadecane
PubChem CID175426991
Molecular FormulaC33H71FO3Si
Molecular Weight563.01 g/mol
Exact Mass562.52
IUPAC Namedecyl(triethoxy)silane;1-fluoroheptadecane
SMILESCCCCCCCCCCCCCCCCCF.CCCCCCCCCC[Si](OCC)(OCC)OCC
InChIInChI=1S/C17H35F.C16H36O3Si/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18;1-5-9-10-11-12-13-14-15-16-20(17-6-2,18-7-3)19-8-4/h2-17H2,1H3;5-16H2,1-4H3
InChIKeyOMCKXJRDCZBSGQ-UHFFFAOYSA-N
XLogP12.00
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds30
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.01
LogP ≤ 512.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze decyl(triethoxy)silane;1-fluoroheptadecane 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 decyl(triethoxy)silane;1-fluoroheptadecane?
The IUPAC name of decyl(triethoxy)silane;1-fluoroheptadecane (CID 175426991) is decyl(triethoxy)silane;1-fluoroheptadecane.
What is the SMILES notation for decyl(triethoxy)silane;1-fluoroheptadecane?
The canonical SMILES for decyl(triethoxy)silane;1-fluoroheptadecane is CCCCCCCCCCCCCCCCCF.CCCCCCCCCC[Si](OCC)(OCC)OCC.
What is the InChIKey of decyl(triethoxy)silane;1-fluoroheptadecane?
The InChIKey is OMCKXJRDCZBSGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35F.C16H36O3Si/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18;1-5-9-10-11-12-13-14-15-16-20(17-6-2,18-7-3)19-8-4/h2-17H2,1H3;5-16H2,1-4H3.
What are the key properties of decyl(triethoxy)silane;1-fluoroheptadecane?
decyl(triethoxy)silane;1-fluoroheptadecane has a molecular weight of 563.01 g/mol, XLogP of 12.00, 30 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for decyl(triethoxy)silane;1-fluoroheptadecane is sourced from PubChem (CID 175426991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).