diethoxy-(3-fluorotridecyl)-(9-octyloctadecan-9-yloxy)silane

C43H89FO3Si — CID 175454196

IUPACdiethoxy-(3-fluorotridecyl)-(9-octyloctadecan-9-yloxy)silane
SMILESCCCCCCCCCCC(F)CC[Si](OCC)(OCC)OC(CCCCCCCC)(CCCCCCCC)CCCCCCCCC
InChIInChI=1S/C43H89FO3Si/c1-7-13-17-21-25-26-28-32-36-42(44)37-41-48(45-11-5,46-12-6)47-43(38-33-29-23-19-15-9-3,39-34-30-24-20-16-10-4)40-35-31-27-22-18-14-8-2/h42H,7-41H2,1-6H3
InChIKeyPYEJZFXGZCKGJD-UHFFFAOYSA-N
MW701.27 g/mol
LogP15.65
Rot. Bonds40

About diethoxy-(3-fluorotridecyl)-(9-octyloctadecan-9-yloxy)silane

diethoxy-(3-fluorotridecyl)-(9-octyloctadecan-9-yloxy)silane (PubChem CID 175454196) has the molecular formula C43H89FO3Si and a molecular weight of 701.27 g/mol. Its IUPAC name is diethoxy-(3-fluorotridecyl)-(9-octyloctadecan-9-yloxy)silane.

Molecular Properties

Compound Namediethoxy-(3-fluorotridecyl)-(9-octyloctadecan-9-yloxy)silane
PubChem CID175454196
Molecular FormulaC43H89FO3Si
Molecular Weight701.27 g/mol
Exact Mass700.66
IUPAC Namediethoxy-(3-fluorotridecyl)-(9-octyloctadecan-9-yloxy)silane
SMILESCCCCCCCCCCC(F)CC[Si](OCC)(OCC)OC(CCCCCCCC)(CCCCCCCC)CCCCCCCCC
InChIInChI=1S/C43H89FO3Si/c1-7-13-17-21-25-26-28-32-36-42(44)37-41-48(45-11-5,46-12-6)47-43(38-33-29-23-19-15-9-3,39-34-30-24-20-16-10-4)40-35-31-27-22-18-14-8-2/h42H,7-41H2,1-6H3
InChIKeyPYEJZFXGZCKGJD-UHFFFAOYSA-N
XLogP15.65
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds40
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500701.27
LogP ≤ 515.65
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 diethoxy-(3-fluorotridecyl)-(9-octyloctadecan-9-yloxy)silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Octa-decyltrimethoxysilane
CID 129773342
Diethoxy-[9-(fluoromethyl)heptadecan-9-yloxy]-octylsilane
CID 87900023
Triethoxy-(3-fluoro-3-heptylicosyl)silane
CID 88121538
3,3,4,4,5,5,6,6,7,7-Decafluorodecyl-(5,5,6,6,7,7,8,8,9,9-decafluorododecan-2-yloxy)-ethoxy-[11,12,12-tris(3,3,4,4,5,5,6,6,7,7-decafluorodecyl)-4,4,5,5,6,6,7,7,8,8,15,15,16,16,17,17,18,18,19,19-icosafluorodocosan-11-yl]oxysilane
CID 88179576
Methoxy-propan-2-yloxy-propyl-[3,4,4,5,5,6,6,7,7,8,8,9,9,9-tetradecafluoro-2-methyl-3-(trifluoromethyl)nonan-2-yl]oxysilane
CID 89407147
Ethyl-(3-fluoro-2-methyldecan-2-yl)oxy-di(propan-2-yloxy)silane
CID 140230149
Dimethoxy-(2,2,2-trifluoroethyl)-[1,1,1-trifluoro-3-(2,2,2-trifluoroethyl)icosan-3-yl]oxysilane
CID 149934593
Ethyl-methoxy-[1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,17-tetratriacontafluoro-9-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)heptadecan-9-yl]oxy-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononoxy)silane
CID 151841699
8-Fluorooctyl-(2-methylpentadecan-2-yloxy)-di(propan-2-yloxy)silane
CID 153946783
Diethoxy-fluoro-(9-methyldocosan-9-yloxy)silane
CID 172682134
Decyl-diethoxy-(2-fluorononadecan-2-yloxy)silane
CID 172835674
Diethoxy-ethyl-(3-ethyl-5,5,6,6,7,7,8,8,9,9,10,10,11,11,14,14,14-heptadecafluorotetradecan-3-yl)oxysilane
CID 175174311

Frequently Asked Questions

What is the IUPAC name of diethoxy-(3-fluorotridecyl)-(9-octyloctadecan-9-yloxy)silane?
The IUPAC name of diethoxy-(3-fluorotridecyl)-(9-octyloctadecan-9-yloxy)silane (CID 175454196) is diethoxy-(3-fluorotridecyl)-(9-octyloctadecan-9-yloxy)silane.
What is the SMILES notation for diethoxy-(3-fluorotridecyl)-(9-octyloctadecan-9-yloxy)silane?
The canonical SMILES for diethoxy-(3-fluorotridecyl)-(9-octyloctadecan-9-yloxy)silane is CCCCCCCCCCC(F)CC[Si](OCC)(OCC)OC(CCCCCCCC)(CCCCCCCC)CCCCCCCCC.
What is the InChIKey of diethoxy-(3-fluorotridecyl)-(9-octyloctadecan-9-yloxy)silane?
The InChIKey is PYEJZFXGZCKGJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H89FO3Si/c1-7-13-17-21-25-26-28-32-36-42(44)37-41-48(45-11-5,46-12-6)47-43(38-33-29-23-19-15-9-3,39-34-30-24-20-16-10-4)40-35-31-27-22-18-14-8-2/h42H,7-41H2,1-6H3.
What are the key properties of diethoxy-(3-fluorotridecyl)-(9-octyloctadecan-9-yloxy)silane?
diethoxy-(3-fluorotridecyl)-(9-octyloctadecan-9-yloxy)silane has a molecular weight of 701.27 g/mol, XLogP of 15.65, 40 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy-(3-fluorotridecyl)-(9-octyloctadecan-9-yloxy)silane is sourced from PubChem (CID 175454196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).