(1-fluoro-3-heptylicosyl)-trimethoxysilane

C30H63FO3Si — CID 139815573

IUPAC(1-fluoro-3-heptylicosyl)-trimethoxysilane
SMILESCCCCCCCCCCCCCCCCCC(CCCCCCC)CC(F)[Si](OC)(OC)OC
InChIInChI=1S/C30H63FO3Si/c1-6-8-10-12-13-14-15-16-17-18-19-20-21-23-25-27-29(26-24-22-11-9-7-2)28-30(31)35(32-3,33-4)34-5/h29-30H,6-28H2,1-5H3
InChIKeyMXPCYCTWNFOZKR-UHFFFAOYSA-N
MW518.92 g/mol
LogP10.37
Rot. Bonds28

About (1-fluoro-3-heptylicosyl)-trimethoxysilane

(1-fluoro-3-heptylicosyl)-trimethoxysilane (PubChem CID 139815573) has the molecular formula C30H63FO3Si and a molecular weight of 518.92 g/mol. Its IUPAC name is (1-fluoro-3-heptylicosyl)-trimethoxysilane.

Molecular Properties

Compound Name(1-fluoro-3-heptylicosyl)-trimethoxysilane
PubChem CID139815573
Molecular FormulaC30H63FO3Si
Molecular Weight518.92 g/mol
Exact Mass518.45
IUPAC Name(1-fluoro-3-heptylicosyl)-trimethoxysilane
SMILESCCCCCCCCCCCCCCCCCC(CCCCCCC)CC(F)[Si](OC)(OC)OC
InChIInChI=1S/C30H63FO3Si/c1-6-8-10-12-13-14-15-16-17-18-19-20-21-23-25-27-29(26-24-22-11-9-7-2)28-30(31)35(32-3,33-4)34-5/h29-30H,6-28H2,1-5H3
InChIKeyMXPCYCTWNFOZKR-UHFFFAOYSA-N
XLogP10.37
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 ≤ 510.37
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 (1-fluoro-3-heptylicosyl)-trimethoxysilane 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 (1-fluoro-3-heptylicosyl)-trimethoxysilane?
The IUPAC name of (1-fluoro-3-heptylicosyl)-trimethoxysilane (CID 139815573) is (1-fluoro-3-heptylicosyl)-trimethoxysilane.
What is the SMILES notation for (1-fluoro-3-heptylicosyl)-trimethoxysilane?
The canonical SMILES for (1-fluoro-3-heptylicosyl)-trimethoxysilane is CCCCCCCCCCCCCCCCCC(CCCCCCC)CC(F)[Si](OC)(OC)OC.
What is the InChIKey of (1-fluoro-3-heptylicosyl)-trimethoxysilane?
The InChIKey is MXPCYCTWNFOZKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H63FO3Si/c1-6-8-10-12-13-14-15-16-17-18-19-20-21-23-25-27-29(26-24-22-11-9-7-2)28-30(31)35(32-3,33-4)34-5/h29-30H,6-28H2,1-5H3.
What are the key properties of (1-fluoro-3-heptylicosyl)-trimethoxysilane?
(1-fluoro-3-heptylicosyl)-trimethoxysilane has a molecular weight of 518.92 g/mol, XLogP of 10.37, 28 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-fluoro-3-heptylicosyl)-trimethoxysilane is sourced from PubChem (CID 139815573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).