[4-fluoro-1,7-bis(trimethoxysilyl)heptan-4-yl]oxy-trimethylsilane

C16H39FO7Si3 — CID 140750843

IUPAC[4-fluoro-1,7-bis(trimethoxysilyl)heptan-4-yl]oxy-trimethylsilane
SMILESCO[Si](CCCC(F)(CCC[Si](OC)(OC)OC)O[Si](C)(C)C)(OC)OC
InChIInChI=1S/C16H39FO7Si3/c1-18-26(19-2,20-3)14-10-12-16(17,24-25(7,8)9)13-11-15-27(21-4,22-5)23-6/h10-15H2,1-9H3
InChIKeyFRBVVLOULHEGHA-UHFFFAOYSA-N
MW446.74 g/mol
LogP3.82
Rot. Bonds16

About [4-fluoro-1,7-bis(trimethoxysilyl)heptan-4-yl]oxy-trimethylsilane

[4-fluoro-1,7-bis(trimethoxysilyl)heptan-4-yl]oxy-trimethylsilane (PubChem CID 140750843) has the molecular formula C16H39FO7Si3 and a molecular weight of 446.74 g/mol. Its IUPAC name is [4-fluoro-1,7-bis(trimethoxysilyl)heptan-4-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[4-fluoro-1,7-bis(trimethoxysilyl)heptan-4-yl]oxy-trimethylsilane
PubChem CID140750843
Molecular FormulaC16H39FO7Si3
Molecular Weight446.74 g/mol
Exact Mass446.20
IUPAC Name[4-fluoro-1,7-bis(trimethoxysilyl)heptan-4-yl]oxy-trimethylsilane
SMILESCO[Si](CCCC(F)(CCC[Si](OC)(OC)OC)O[Si](C)(C)C)(OC)OC
InChIInChI=1S/C16H39FO7Si3/c1-18-26(19-2,20-3)14-10-12-16(17,24-25(7,8)9)13-11-15-27(21-4,22-5)23-6/h10-15H2,1-9H3
InChIKeyFRBVVLOULHEGHA-UHFFFAOYSA-N
XLogP3.82
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.74
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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-fluoro-1,7-bis(trimethoxysilyl)heptan-4-yl]oxy-trimethylsilane?
The IUPAC name of [4-fluoro-1,7-bis(trimethoxysilyl)heptan-4-yl]oxy-trimethylsilane (CID 140750843) is [4-fluoro-1,7-bis(trimethoxysilyl)heptan-4-yl]oxy-trimethylsilane.
What is the SMILES notation for [4-fluoro-1,7-bis(trimethoxysilyl)heptan-4-yl]oxy-trimethylsilane?
The canonical SMILES for [4-fluoro-1,7-bis(trimethoxysilyl)heptan-4-yl]oxy-trimethylsilane is CO[Si](CCCC(F)(CCC[Si](OC)(OC)OC)O[Si](C)(C)C)(OC)OC.
What is the InChIKey of [4-fluoro-1,7-bis(trimethoxysilyl)heptan-4-yl]oxy-trimethylsilane?
The InChIKey is FRBVVLOULHEGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H39FO7Si3/c1-18-26(19-2,20-3)14-10-12-16(17,24-25(7,8)9)13-11-15-27(21-4,22-5)23-6/h10-15H2,1-9H3.
What are the key properties of [4-fluoro-1,7-bis(trimethoxysilyl)heptan-4-yl]oxy-trimethylsilane?
[4-fluoro-1,7-bis(trimethoxysilyl)heptan-4-yl]oxy-trimethylsilane has a molecular weight of 446.74 g/mol, XLogP of 3.82, 16 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-1,7-bis(trimethoxysilyl)heptan-4-yl]oxy-trimethylsilane is sourced from PubChem (CID 140750843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).