1,7-bis[[dimethyl(2-trimethoxysilylethyl)silyl]oxy-dimethylsilyl]-4-fluoroheptan-4-ol

C25H63FO9Si6 — CID 140691903

IUPAC1,7-bis[[dimethyl(2-trimethoxysilylethyl)silyl]oxy-dimethylsilyl]-4-fluoroheptan-4-ol
SMILESCO[Si](CC[Si](C)(C)O[Si](C)(C)CCCC(O)(F)CCC[Si](C)(C)O[Si](C)(C)CC[Si](OC)(OC)OC)(OC)OC
InChIInChI=1S/C25H63FO9Si6/c1-28-40(29-2,30-3)23-21-38(11,12)34-36(7,8)19-15-17-25(26,27)18-16-20-37(9,10)35-39(13,14)22-24-41(31-4,32-5)33-6/h27H,15-24H2,1-14H3
InChIKeyQNZQEVOYKJEZEN-UHFFFAOYSA-N
MW695.28 g/mol
LogP6.81
Rot. Bonds24

About 1,7-bis[[dimethyl(2-trimethoxysilylethyl)silyl]oxy-dimethylsilyl]-4-fluoroheptan-4-ol

1,7-bis[[dimethyl(2-trimethoxysilylethyl)silyl]oxy-dimethylsilyl]-4-fluoroheptan-4-ol (PubChem CID 140691903) has the molecular formula C25H63FO9Si6 and a molecular weight of 695.28 g/mol. Its IUPAC name is 1,7-bis[[dimethyl(2-trimethoxysilylethyl)silyl]oxy-dimethylsilyl]-4-fluoroheptan-4-ol.

Molecular Properties

Compound Name1,7-bis[[dimethyl(2-trimethoxysilylethyl)silyl]oxy-dimethylsilyl]-4-fluoroheptan-4-ol
PubChem CID140691903
Molecular FormulaC25H63FO9Si6
Molecular Weight695.28 g/mol
Exact Mass694.31
IUPAC Name1,7-bis[[dimethyl(2-trimethoxysilylethyl)silyl]oxy-dimethylsilyl]-4-fluoroheptan-4-ol
SMILESCO[Si](CC[Si](C)(C)O[Si](C)(C)CCCC(O)(F)CCC[Si](C)(C)O[Si](C)(C)CC[Si](OC)(OC)OC)(OC)OC
InChIInChI=1S/C25H63FO9Si6/c1-28-40(29-2,30-3)23-21-38(11,12)34-36(7,8)19-15-17-25(26,27)18-16-20-37(9,10)35-39(13,14)22-24-41(31-4,32-5)33-6/h27H,15-24H2,1-14H3
InChIKeyQNZQEVOYKJEZEN-UHFFFAOYSA-N
XLogP6.81
TPSA94.07 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds24
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500695.28
LogP ≤ 56.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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 1,7-bis[[dimethyl(2-trimethoxysilylethyl)silyl]oxy-dimethylsilyl]-4-fluoroheptan-4-ol?
The IUPAC name of 1,7-bis[[dimethyl(2-trimethoxysilylethyl)silyl]oxy-dimethylsilyl]-4-fluoroheptan-4-ol (CID 140691903) is 1,7-bis[[dimethyl(2-trimethoxysilylethyl)silyl]oxy-dimethylsilyl]-4-fluoroheptan-4-ol.
What is the SMILES notation for 1,7-bis[[dimethyl(2-trimethoxysilylethyl)silyl]oxy-dimethylsilyl]-4-fluoroheptan-4-ol?
The canonical SMILES for 1,7-bis[[dimethyl(2-trimethoxysilylethyl)silyl]oxy-dimethylsilyl]-4-fluoroheptan-4-ol is CO[Si](CC[Si](C)(C)O[Si](C)(C)CCCC(O)(F)CCC[Si](C)(C)O[Si](C)(C)CC[Si](OC)(OC)OC)(OC)OC.
What is the InChIKey of 1,7-bis[[dimethyl(2-trimethoxysilylethyl)silyl]oxy-dimethylsilyl]-4-fluoroheptan-4-ol?
The InChIKey is QNZQEVOYKJEZEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H63FO9Si6/c1-28-40(29-2,30-3)23-21-38(11,12)34-36(7,8)19-15-17-25(26,27)18-16-20-37(9,10)35-39(13,14)22-24-41(31-4,32-5)33-6/h27H,15-24H2,1-14H3.
What are the key properties of 1,7-bis[[dimethyl(2-trimethoxysilylethyl)silyl]oxy-dimethylsilyl]-4-fluoroheptan-4-ol?
1,7-bis[[dimethyl(2-trimethoxysilylethyl)silyl]oxy-dimethylsilyl]-4-fluoroheptan-4-ol has a molecular weight of 695.28 g/mol, XLogP of 6.81, 24 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-bis[[dimethyl(2-trimethoxysilylethyl)silyl]oxy-dimethylsilyl]-4-fluoroheptan-4-ol is sourced from PubChem (CID 140691903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).