1,7-bis[[dimethyl(8-trimethoxysilyloctyl)silyl]oxy-dimethylsilyl]-4-fluoroheptan-4-ol

C37H87FO9Si6 — CID 176847613

IUPAC1,7-bis[[dimethyl(8-trimethoxysilyloctyl)silyl]oxy-dimethylsilyl]-4-fluoroheptan-4-ol
SMILESCO[Si](CCCCCCCC[Si](C)(C)O[Si](C)(C)CCCC(O)(F)CCC[Si](C)(C)O[Si](C)(C)CCCCCCCC[Si](OC)(OC)OC)(OC)OC
InChIInChI=1S/C37H87FO9Si6/c1-40-52(41-2,42-3)35-25-21-17-15-19-23-31-48(7,8)46-50(11,12)33-27-29-37(38,39)30-28-34-51(13,14)47-49(9,10)32-24-20-16-18-22-26-36-53(43-4,44-5)45-6/h39H,15-36H2,1-14H3
InChIKeyVIXOOXBGUDMCRA-UHFFFAOYSA-N
MW863.61 g/mol
LogP11.50
Rot. Bonds36

About 1,7-bis[[dimethyl(8-trimethoxysilyloctyl)silyl]oxy-dimethylsilyl]-4-fluoroheptan-4-ol

1,7-bis[[dimethyl(8-trimethoxysilyloctyl)silyl]oxy-dimethylsilyl]-4-fluoroheptan-4-ol (PubChem CID 176847613) has the molecular formula C37H87FO9Si6 and a molecular weight of 863.61 g/mol. Its IUPAC name is 1,7-bis[[dimethyl(8-trimethoxysilyloctyl)silyl]oxy-dimethylsilyl]-4-fluoroheptan-4-ol.

Molecular Properties

Compound Name1,7-bis[[dimethyl(8-trimethoxysilyloctyl)silyl]oxy-dimethylsilyl]-4-fluoroheptan-4-ol
PubChem CID176847613
Molecular FormulaC37H87FO9Si6
Molecular Weight863.61 g/mol
Exact Mass862.49
IUPAC Name1,7-bis[[dimethyl(8-trimethoxysilyloctyl)silyl]oxy-dimethylsilyl]-4-fluoroheptan-4-ol
SMILESCO[Si](CCCCCCCC[Si](C)(C)O[Si](C)(C)CCCC(O)(F)CCC[Si](C)(C)O[Si](C)(C)CCCCCCCC[Si](OC)(OC)OC)(OC)OC
InChIInChI=1S/C37H87FO9Si6/c1-40-52(41-2,42-3)35-25-21-17-15-19-23-31-48(7,8)46-50(11,12)33-27-29-37(38,39)30-28-34-51(13,14)47-49(9,10)32-24-20-16-18-22-26-36-53(43-4,44-5)45-6/h39H,15-36H2,1-14H3
InChIKeyVIXOOXBGUDMCRA-UHFFFAOYSA-N
XLogP11.50
TPSA94.07 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds36
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500863.61
LogP ≤ 511.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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 1,7-bis[[dimethyl(8-trimethoxysilyloctyl)silyl]oxy-dimethylsilyl]-4-fluoroheptan-4-ol?
The IUPAC name of 1,7-bis[[dimethyl(8-trimethoxysilyloctyl)silyl]oxy-dimethylsilyl]-4-fluoroheptan-4-ol (CID 176847613) is 1,7-bis[[dimethyl(8-trimethoxysilyloctyl)silyl]oxy-dimethylsilyl]-4-fluoroheptan-4-ol.
What is the SMILES notation for 1,7-bis[[dimethyl(8-trimethoxysilyloctyl)silyl]oxy-dimethylsilyl]-4-fluoroheptan-4-ol?
The canonical SMILES for 1,7-bis[[dimethyl(8-trimethoxysilyloctyl)silyl]oxy-dimethylsilyl]-4-fluoroheptan-4-ol is CO[Si](CCCCCCCC[Si](C)(C)O[Si](C)(C)CCCC(O)(F)CCC[Si](C)(C)O[Si](C)(C)CCCCCCCC[Si](OC)(OC)OC)(OC)OC.
What is the InChIKey of 1,7-bis[[dimethyl(8-trimethoxysilyloctyl)silyl]oxy-dimethylsilyl]-4-fluoroheptan-4-ol?
The InChIKey is VIXOOXBGUDMCRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H87FO9Si6/c1-40-52(41-2,42-3)35-25-21-17-15-19-23-31-48(7,8)46-50(11,12)33-27-29-37(38,39)30-28-34-51(13,14)47-49(9,10)32-24-20-16-18-22-26-36-53(43-4,44-5)45-6/h39H,15-36H2,1-14H3.
What are the key properties of 1,7-bis[[dimethyl(8-trimethoxysilyloctyl)silyl]oxy-dimethylsilyl]-4-fluoroheptan-4-ol?
1,7-bis[[dimethyl(8-trimethoxysilyloctyl)silyl]oxy-dimethylsilyl]-4-fluoroheptan-4-ol has a molecular weight of 863.61 g/mol, XLogP of 11.50, 36 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-bis[[dimethyl(8-trimethoxysilyloctyl)silyl]oxy-dimethylsilyl]-4-fluoroheptan-4-ol is sourced from PubChem (CID 176847613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).