3-(1-fluoro-5-trimethoxysilylpentoxy)propyl-trimethoxysilane

C14H33FO7Si2 — CID 165382544

IUPAC3-(1-fluoro-5-trimethoxysilylpentoxy)propyl-trimethoxysilane
SMILESCO[Si](CCCCC(F)OCCC[Si](OC)(OC)OC)(OC)OC
InChIInChI=1S/C14H33FO7Si2/c1-16-23(17-2,18-3)12-8-7-10-14(15)22-11-9-13-24(19-4,20-5)21-6/h14H,7-13H2,1-6H3
InChIKeySKZTULJUQSSSCT-UHFFFAOYSA-N
MW388.58 g/mol
LogP2.62
Rot. Bonds16

About 3-(1-fluoro-5-trimethoxysilylpentoxy)propyl-trimethoxysilane

3-(1-fluoro-5-trimethoxysilylpentoxy)propyl-trimethoxysilane (PubChem CID 165382544) has the molecular formula C14H33FO7Si2 and a molecular weight of 388.58 g/mol. Its IUPAC name is 3-(1-fluoro-5-trimethoxysilylpentoxy)propyl-trimethoxysilane.

Molecular Properties

Compound Name3-(1-fluoro-5-trimethoxysilylpentoxy)propyl-trimethoxysilane
PubChem CID165382544
Molecular FormulaC14H33FO7Si2
Molecular Weight388.58 g/mol
Exact Mass388.17
IUPAC Name3-(1-fluoro-5-trimethoxysilylpentoxy)propyl-trimethoxysilane
SMILESCO[Si](CCCCC(F)OCCC[Si](OC)(OC)OC)(OC)OC
InChIInChI=1S/C14H33FO7Si2/c1-16-23(17-2,18-3)12-8-7-10-14(15)22-11-9-13-24(19-4,20-5)21-6/h14H,7-13H2,1-6H3
InChIKeySKZTULJUQSSSCT-UHFFFAOYSA-N
XLogP2.62
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.58
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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 3-(1-fluoro-5-trimethoxysilylpentoxy)propyl-trimethoxysilane?
The IUPAC name of 3-(1-fluoro-5-trimethoxysilylpentoxy)propyl-trimethoxysilane (CID 165382544) is 3-(1-fluoro-5-trimethoxysilylpentoxy)propyl-trimethoxysilane.
What is the SMILES notation for 3-(1-fluoro-5-trimethoxysilylpentoxy)propyl-trimethoxysilane?
The canonical SMILES for 3-(1-fluoro-5-trimethoxysilylpentoxy)propyl-trimethoxysilane is CO[Si](CCCCC(F)OCCC[Si](OC)(OC)OC)(OC)OC.
What is the InChIKey of 3-(1-fluoro-5-trimethoxysilylpentoxy)propyl-trimethoxysilane?
The InChIKey is SKZTULJUQSSSCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H33FO7Si2/c1-16-23(17-2,18-3)12-8-7-10-14(15)22-11-9-13-24(19-4,20-5)21-6/h14H,7-13H2,1-6H3.
What are the key properties of 3-(1-fluoro-5-trimethoxysilylpentoxy)propyl-trimethoxysilane?
3-(1-fluoro-5-trimethoxysilylpentoxy)propyl-trimethoxysilane has a molecular weight of 388.58 g/mol, XLogP of 2.62, 16 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-fluoro-5-trimethoxysilylpentoxy)propyl-trimethoxysilane is sourced from PubChem (CID 165382544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).