diethoxy-[9-(fluoromethyl)heptadecan-9-yloxy]-octylsilane

C30H63FO3Si — CID 87900023

IUPACdiethoxy-[9-(fluoromethyl)heptadecan-9-yloxy]-octylsilane
SMILESCCCCCCCCC(CF)(CCCCCCCC)O[Si](CCCCCCCC)(OCC)OCC
InChIInChI=1S/C30H63FO3Si/c1-6-11-14-17-20-23-26-30(29-31,27-24-21-18-15-12-7-2)34-35(32-9-4,33-10-5)28-25-22-19-16-13-8-3/h6-29H2,1-5H3
InChIKeyGYPUCNZZDVAKBW-UHFFFAOYSA-N
MW518.92 g/mol
LogP10.58
Rot. Bonds28

About diethoxy-[9-(fluoromethyl)heptadecan-9-yloxy]-octylsilane

diethoxy-[9-(fluoromethyl)heptadecan-9-yloxy]-octylsilane (PubChem CID 87900023) has the molecular formula C30H63FO3Si and a molecular weight of 518.92 g/mol. Its IUPAC name is diethoxy-[9-(fluoromethyl)heptadecan-9-yloxy]-octylsilane.

Molecular Properties

Compound Namediethoxy-[9-(fluoromethyl)heptadecan-9-yloxy]-octylsilane
PubChem CID87900023
Molecular FormulaC30H63FO3Si
Molecular Weight518.92 g/mol
Exact Mass518.45
IUPAC Namediethoxy-[9-(fluoromethyl)heptadecan-9-yloxy]-octylsilane
SMILESCCCCCCCCC(CF)(CCCCCCCC)O[Si](CCCCCCCC)(OCC)OCC
InChIInChI=1S/C30H63FO3Si/c1-6-11-14-17-20-23-26-30(29-31,27-24-21-18-15-12-7-2)34-35(32-9-4,33-10-5)28-25-22-19-16-13-8-3/h6-29H2,1-5H3
InChIKeyGYPUCNZZDVAKBW-UHFFFAOYSA-N
XLogP10.58
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds28
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.92
LogP ≤ 510.58
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-[9-(fluoromethyl)heptadecan-9-yloxy]-octylsilane 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 diethoxy-[9-(fluoromethyl)heptadecan-9-yloxy]-octylsilane?
The IUPAC name of diethoxy-[9-(fluoromethyl)heptadecan-9-yloxy]-octylsilane (CID 87900023) is diethoxy-[9-(fluoromethyl)heptadecan-9-yloxy]-octylsilane.
What is the SMILES notation for diethoxy-[9-(fluoromethyl)heptadecan-9-yloxy]-octylsilane?
The canonical SMILES for diethoxy-[9-(fluoromethyl)heptadecan-9-yloxy]-octylsilane is CCCCCCCCC(CF)(CCCCCCCC)O[Si](CCCCCCCC)(OCC)OCC.
What is the InChIKey of diethoxy-[9-(fluoromethyl)heptadecan-9-yloxy]-octylsilane?
The InChIKey is GYPUCNZZDVAKBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H63FO3Si/c1-6-11-14-17-20-23-26-30(29-31,27-24-21-18-15-12-7-2)34-35(32-9-4,33-10-5)28-25-22-19-16-13-8-3/h6-29H2,1-5H3.
What are the key properties of diethoxy-[9-(fluoromethyl)heptadecan-9-yloxy]-octylsilane?
diethoxy-[9-(fluoromethyl)heptadecan-9-yloxy]-octylsilane has a molecular weight of 518.92 g/mol, XLogP of 10.58, 28 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy-[9-(fluoromethyl)heptadecan-9-yloxy]-octylsilane is sourced from PubChem (CID 87900023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).