[4-[dimethyl(2-trimethoxysilylethyl)silyl]oxy-4-fluoro-7-trimethoxysilylheptyl]-trimethoxysilane

C20H49FO10Si4 — CID 140747059

IUPAC[4-[dimethyl(2-trimethoxysilylethyl)silyl]oxy-4-fluoro-7-trimethoxysilylheptyl]-trimethoxysilane
SMILESCO[Si](CCCC(F)(CCC[Si](OC)(OC)OC)O[Si](C)(C)CC[Si](OC)(OC)OC)(OC)OC
InChIInChI=1S/C20H49FO10Si4/c1-22-33(23-2,24-3)16-12-14-20(21,15-13-17-34(25-4,26-5)27-6)31-32(10,11)18-19-35(28-7,29-8)30-9/h12-19H2,1-11H3
InChIKeyPFLJTJSFAQMLJN-UHFFFAOYSA-N
MW580.94 g/mol
LogP4.07
Rot. Bonds22

About [4-[dimethyl(2-trimethoxysilylethyl)silyl]oxy-4-fluoro-7-trimethoxysilylheptyl]-trimethoxysilane

[4-[dimethyl(2-trimethoxysilylethyl)silyl]oxy-4-fluoro-7-trimethoxysilylheptyl]-trimethoxysilane (PubChem CID 140747059) has the molecular formula C20H49FO10Si4 and a molecular weight of 580.94 g/mol. Its IUPAC name is [4-[dimethyl(2-trimethoxysilylethyl)silyl]oxy-4-fluoro-7-trimethoxysilylheptyl]-trimethoxysilane.

Molecular Properties

Compound Name[4-[dimethyl(2-trimethoxysilylethyl)silyl]oxy-4-fluoro-7-trimethoxysilylheptyl]-trimethoxysilane
PubChem CID140747059
Molecular FormulaC20H49FO10Si4
Molecular Weight580.94 g/mol
Exact Mass580.24
IUPAC Name[4-[dimethyl(2-trimethoxysilylethyl)silyl]oxy-4-fluoro-7-trimethoxysilylheptyl]-trimethoxysilane
SMILESCO[Si](CCCC(F)(CCC[Si](OC)(OC)OC)O[Si](C)(C)CC[Si](OC)(OC)OC)(OC)OC
InChIInChI=1S/C20H49FO10Si4/c1-22-33(23-2,24-3)16-12-14-20(21,15-13-17-34(25-4,26-5)27-6)31-32(10,11)18-19-35(28-7,29-8)30-9/h12-19H2,1-11H3
InChIKeyPFLJTJSFAQMLJN-UHFFFAOYSA-N
XLogP4.07
TPSA92.30 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds22
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500580.94
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-[dimethyl(2-trimethoxysilylethyl)silyl]oxy-4-fluoro-7-trimethoxysilylheptyl]-trimethoxysilane?
The IUPAC name of [4-[dimethyl(2-trimethoxysilylethyl)silyl]oxy-4-fluoro-7-trimethoxysilylheptyl]-trimethoxysilane (CID 140747059) is [4-[dimethyl(2-trimethoxysilylethyl)silyl]oxy-4-fluoro-7-trimethoxysilylheptyl]-trimethoxysilane.
What is the SMILES notation for [4-[dimethyl(2-trimethoxysilylethyl)silyl]oxy-4-fluoro-7-trimethoxysilylheptyl]-trimethoxysilane?
The canonical SMILES for [4-[dimethyl(2-trimethoxysilylethyl)silyl]oxy-4-fluoro-7-trimethoxysilylheptyl]-trimethoxysilane is CO[Si](CCCC(F)(CCC[Si](OC)(OC)OC)O[Si](C)(C)CC[Si](OC)(OC)OC)(OC)OC.
What is the InChIKey of [4-[dimethyl(2-trimethoxysilylethyl)silyl]oxy-4-fluoro-7-trimethoxysilylheptyl]-trimethoxysilane?
The InChIKey is PFLJTJSFAQMLJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H49FO10Si4/c1-22-33(23-2,24-3)16-12-14-20(21,15-13-17-34(25-4,26-5)27-6)31-32(10,11)18-19-35(28-7,29-8)30-9/h12-19H2,1-11H3.
What are the key properties of [4-[dimethyl(2-trimethoxysilylethyl)silyl]oxy-4-fluoro-7-trimethoxysilylheptyl]-trimethoxysilane?
[4-[dimethyl(2-trimethoxysilylethyl)silyl]oxy-4-fluoro-7-trimethoxysilylheptyl]-trimethoxysilane has a molecular weight of 580.94 g/mol, XLogP of 4.07, 22 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[dimethyl(2-trimethoxysilylethyl)silyl]oxy-4-fluoro-7-trimethoxysilylheptyl]-trimethoxysilane is sourced from PubChem (CID 140747059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).