(10-fluoro-11-phenylhexacosan-10-yl)-trimethoxysilane

C35H65FO3Si — CID 175062399

IUPAC(10-fluoro-11-phenylhexacosan-10-yl)-trimethoxysilane
SMILESCCCCCCCCCCCCCCCC(c1ccccc1)C(F)(CCCCCCCCC)[Si](OC)(OC)OC
InChIInChI=1S/C35H65FO3Si/c1-6-8-10-12-14-15-16-17-18-19-20-22-27-31-34(33-29-25-24-26-30-33)35(36,40(37-3,38-4)39-5)32-28-23-21-13-11-9-7-2/h24-26,29-30,34H,6-23,27-28,31-32H2,1-5H3
InChIKeyGXCPGFQJGCAYEN-UHFFFAOYSA-N
MW580.99 g/mol
LogP11.52
Rot. Bonds28

About (10-fluoro-11-phenylhexacosan-10-yl)-trimethoxysilane

(10-fluoro-11-phenylhexacosan-10-yl)-trimethoxysilane (PubChem CID 175062399) has the molecular formula C35H65FO3Si and a molecular weight of 580.99 g/mol. Its IUPAC name is (10-fluoro-11-phenylhexacosan-10-yl)-trimethoxysilane.

Molecular Properties

Compound Name(10-fluoro-11-phenylhexacosan-10-yl)-trimethoxysilane
PubChem CID175062399
Molecular FormulaC35H65FO3Si
Molecular Weight580.99 g/mol
Exact Mass580.47
IUPAC Name(10-fluoro-11-phenylhexacosan-10-yl)-trimethoxysilane
SMILESCCCCCCCCCCCCCCCC(c1ccccc1)C(F)(CCCCCCCCC)[Si](OC)(OC)OC
InChIInChI=1S/C35H65FO3Si/c1-6-8-10-12-14-15-16-17-18-19-20-22-27-31-34(33-29-25-24-26-30-33)35(36,40(37-3,38-4)39-5)32-28-23-21-13-11-9-7-2/h24-26,29-30,34H,6-23,27-28,31-32H2,1-5H3
InChIKeyGXCPGFQJGCAYEN-UHFFFAOYSA-N
XLogP11.52
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds28
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.99
LogP ≤ 511.52
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 (10-fluoro-11-phenylhexacosan-10-yl)-trimethoxysilane?
The IUPAC name of (10-fluoro-11-phenylhexacosan-10-yl)-trimethoxysilane (CID 175062399) is (10-fluoro-11-phenylhexacosan-10-yl)-trimethoxysilane.
What is the SMILES notation for (10-fluoro-11-phenylhexacosan-10-yl)-trimethoxysilane?
The canonical SMILES for (10-fluoro-11-phenylhexacosan-10-yl)-trimethoxysilane is CCCCCCCCCCCCCCCC(c1ccccc1)C(F)(CCCCCCCCC)[Si](OC)(OC)OC.
What is the InChIKey of (10-fluoro-11-phenylhexacosan-10-yl)-trimethoxysilane?
The InChIKey is GXCPGFQJGCAYEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H65FO3Si/c1-6-8-10-12-14-15-16-17-18-19-20-22-27-31-34(33-29-25-24-26-30-33)35(36,40(37-3,38-4)39-5)32-28-23-21-13-11-9-7-2/h24-26,29-30,34H,6-23,27-28,31-32H2,1-5H3.
What are the key properties of (10-fluoro-11-phenylhexacosan-10-yl)-trimethoxysilane?
(10-fluoro-11-phenylhexacosan-10-yl)-trimethoxysilane has a molecular weight of 580.99 g/mol, XLogP of 11.52, 28 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (10-fluoro-11-phenylhexacosan-10-yl)-trimethoxysilane is sourced from PubChem (CID 175062399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).