[4-[dimethyl(3-trimethoxysilylpropyl)silyl]oxy-4-fluoro-7-trimethoxysilylheptyl]-trimethoxysilane

C21H51FO10Si4 — CID 140747067

IUPAC[4-[dimethyl(3-trimethoxysilylpropyl)silyl]oxy-4-fluoro-7-trimethoxysilylheptyl]-trimethoxysilane
SMILESCO[Si](CCCC(F)(CCC[Si](OC)(OC)OC)O[Si](C)(C)CCC[Si](OC)(OC)OC)(OC)OC
InChIInChI=1S/C21H51FO10Si4/c1-23-34(24-2,25-3)18-12-15-21(22,16-13-19-35(26-4,27-5)28-6)32-33(10,11)17-14-20-36(29-7,30-8)31-9/h12-20H2,1-11H3
InChIKeyJCMSUXVWRDGWTP-UHFFFAOYSA-N
MW594.97 g/mol
LogP4.46
Rot. Bonds23

About [4-[dimethyl(3-trimethoxysilylpropyl)silyl]oxy-4-fluoro-7-trimethoxysilylheptyl]-trimethoxysilane

[4-[dimethyl(3-trimethoxysilylpropyl)silyl]oxy-4-fluoro-7-trimethoxysilylheptyl]-trimethoxysilane (PubChem CID 140747067) has the molecular formula C21H51FO10Si4 and a molecular weight of 594.97 g/mol. Its IUPAC name is [4-[dimethyl(3-trimethoxysilylpropyl)silyl]oxy-4-fluoro-7-trimethoxysilylheptyl]-trimethoxysilane.

Molecular Properties

Compound Name[4-[dimethyl(3-trimethoxysilylpropyl)silyl]oxy-4-fluoro-7-trimethoxysilylheptyl]-trimethoxysilane
PubChem CID140747067
Molecular FormulaC21H51FO10Si4
Molecular Weight594.97 g/mol
Exact Mass594.25
IUPAC Name[4-[dimethyl(3-trimethoxysilylpropyl)silyl]oxy-4-fluoro-7-trimethoxysilylheptyl]-trimethoxysilane
SMILESCO[Si](CCCC(F)(CCC[Si](OC)(OC)OC)O[Si](C)(C)CCC[Si](OC)(OC)OC)(OC)OC
InChIInChI=1S/C21H51FO10Si4/c1-23-34(24-2,25-3)18-12-15-21(22,16-13-19-35(26-4,27-5)28-6)32-33(10,11)17-14-20-36(29-7,30-8)31-9/h12-20H2,1-11H3
InChIKeyJCMSUXVWRDGWTP-UHFFFAOYSA-N
XLogP4.46
TPSA92.30 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds23
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500594.97
LogP ≤ 54.46
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(3-trimethoxysilylpropyl)silyl]oxy-4-fluoro-7-trimethoxysilylheptyl]-trimethoxysilane?
The IUPAC name of [4-[dimethyl(3-trimethoxysilylpropyl)silyl]oxy-4-fluoro-7-trimethoxysilylheptyl]-trimethoxysilane (CID 140747067) is [4-[dimethyl(3-trimethoxysilylpropyl)silyl]oxy-4-fluoro-7-trimethoxysilylheptyl]-trimethoxysilane.
What is the SMILES notation for [4-[dimethyl(3-trimethoxysilylpropyl)silyl]oxy-4-fluoro-7-trimethoxysilylheptyl]-trimethoxysilane?
The canonical SMILES for [4-[dimethyl(3-trimethoxysilylpropyl)silyl]oxy-4-fluoro-7-trimethoxysilylheptyl]-trimethoxysilane is CO[Si](CCCC(F)(CCC[Si](OC)(OC)OC)O[Si](C)(C)CCC[Si](OC)(OC)OC)(OC)OC.
What is the InChIKey of [4-[dimethyl(3-trimethoxysilylpropyl)silyl]oxy-4-fluoro-7-trimethoxysilylheptyl]-trimethoxysilane?
The InChIKey is JCMSUXVWRDGWTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H51FO10Si4/c1-23-34(24-2,25-3)18-12-15-21(22,16-13-19-35(26-4,27-5)28-6)32-33(10,11)17-14-20-36(29-7,30-8)31-9/h12-20H2,1-11H3.
What are the key properties of [4-[dimethyl(3-trimethoxysilylpropyl)silyl]oxy-4-fluoro-7-trimethoxysilylheptyl]-trimethoxysilane?
[4-[dimethyl(3-trimethoxysilylpropyl)silyl]oxy-4-fluoro-7-trimethoxysilylheptyl]-trimethoxysilane has a molecular weight of 594.97 g/mol, XLogP of 4.46, 23 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[dimethyl(3-trimethoxysilylpropyl)silyl]oxy-4-fluoro-7-trimethoxysilylheptyl]-trimethoxysilane is sourced from PubChem (CID 140747067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).