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'}

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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).