triethyl-[4-fluoro-1,7-bis(trimethoxysilyl)heptan-4-yl]oxysilane

C19H45FO7Si3 — CID 140750845

IUPACtriethyl-[4-fluoro-1,7-bis(trimethoxysilyl)heptan-4-yl]oxysilane
SMILESCC[Si](CC)(CC)OC(F)(CCC[Si](OC)(OC)OC)CCC[Si](OC)(OC)OC
InChIInChI=1S/C19H45FO7Si3/c1-10-28(11-2,12-3)27-19(20,15-13-17-29(21-4,22-5)23-6)16-14-18-30(24-7,25-8)26-9/h10-18H2,1-9H3
InChIKeyJPJHDDULYIJCKK-UHFFFAOYSA-N
MW488.82 g/mol
LogP4.99
Rot. Bonds19

About triethyl-[4-fluoro-1,7-bis(trimethoxysilyl)heptan-4-yl]oxysilane

triethyl-[4-fluoro-1,7-bis(trimethoxysilyl)heptan-4-yl]oxysilane (PubChem CID 140750845) has the molecular formula C19H45FO7Si3 and a molecular weight of 488.82 g/mol. Its IUPAC name is triethyl-[4-fluoro-1,7-bis(trimethoxysilyl)heptan-4-yl]oxysilane.

Molecular Properties

Compound Nametriethyl-[4-fluoro-1,7-bis(trimethoxysilyl)heptan-4-yl]oxysilane
PubChem CID140750845
Molecular FormulaC19H45FO7Si3
Molecular Weight488.82 g/mol
Exact Mass488.25
IUPAC Nametriethyl-[4-fluoro-1,7-bis(trimethoxysilyl)heptan-4-yl]oxysilane
SMILESCC[Si](CC)(CC)OC(F)(CCC[Si](OC)(OC)OC)CCC[Si](OC)(OC)OC
InChIInChI=1S/C19H45FO7Si3/c1-10-28(11-2,12-3)27-19(20,15-13-17-29(21-4,22-5)23-6)16-14-18-30(24-7,25-8)26-9/h10-18H2,1-9H3
InChIKeyJPJHDDULYIJCKK-UHFFFAOYSA-N
XLogP4.99
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds19
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.82
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze triethyl-[4-fluoro-1,7-bis(trimethoxysilyl)heptan-4-yl]oxysilane 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 triethyl-[4-fluoro-1,7-bis(trimethoxysilyl)heptan-4-yl]oxysilane?
The IUPAC name of triethyl-[4-fluoro-1,7-bis(trimethoxysilyl)heptan-4-yl]oxysilane (CID 140750845) is triethyl-[4-fluoro-1,7-bis(trimethoxysilyl)heptan-4-yl]oxysilane.
What is the SMILES notation for triethyl-[4-fluoro-1,7-bis(trimethoxysilyl)heptan-4-yl]oxysilane?
The canonical SMILES for triethyl-[4-fluoro-1,7-bis(trimethoxysilyl)heptan-4-yl]oxysilane is CC[Si](CC)(CC)OC(F)(CCC[Si](OC)(OC)OC)CCC[Si](OC)(OC)OC.
What is the InChIKey of triethyl-[4-fluoro-1,7-bis(trimethoxysilyl)heptan-4-yl]oxysilane?
The InChIKey is JPJHDDULYIJCKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H45FO7Si3/c1-10-28(11-2,12-3)27-19(20,15-13-17-29(21-4,22-5)23-6)16-14-18-30(24-7,25-8)26-9/h10-18H2,1-9H3.
What are the key properties of triethyl-[4-fluoro-1,7-bis(trimethoxysilyl)heptan-4-yl]oxysilane?
triethyl-[4-fluoro-1,7-bis(trimethoxysilyl)heptan-4-yl]oxysilane has a molecular weight of 488.82 g/mol, XLogP of 4.99, 19 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[4-fluoro-1,7-bis(trimethoxysilyl)heptan-4-yl]oxysilane is sourced from PubChem (CID 140750845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).