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

C37H71FO7Si6 — CID 140691900

IUPAC1,7-bis[[4-[dimethyl(2-trimethoxysilylethyl)silyl]phenyl]-dimethylsilyl]-4-fluoroheptan-4-ol
SMILESCO[Si](CC[Si](C)(C)c1ccc([Si](C)(C)CCCC(O)(F)CCC[Si](C)(C)c2ccc([Si](C)(C)CC[Si](OC)(OC)OC)cc2)cc1)(OC)OC
InChIInChI=1S/C37H71FO7Si6/c1-40-50(41-2,42-3)31-29-48(11,12)35-21-17-33(18-22-35)46(7,8)27-15-25-37(38,39)26-16-28-47(9,10)34-19-23-36(24-20-34)49(13,14)30-32-51(43-4,44-5)45-6/h17-24,39H,15-16,25-32H2,1-14H3
InChIKeyGJUNTDGKOCBNMF-UHFFFAOYSA-N
MW815.48 g/mol
LogP7.02
Rot. Bonds24

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

1,7-bis[[4-[dimethyl(2-trimethoxysilylethyl)silyl]phenyl]-dimethylsilyl]-4-fluoroheptan-4-ol (PubChem CID 140691900) has the molecular formula C37H71FO7Si6 and a molecular weight of 815.48 g/mol. Its IUPAC name is 1,7-bis[[4-[dimethyl(2-trimethoxysilylethyl)silyl]phenyl]-dimethylsilyl]-4-fluoroheptan-4-ol.

Molecular Properties

Compound Name1,7-bis[[4-[dimethyl(2-trimethoxysilylethyl)silyl]phenyl]-dimethylsilyl]-4-fluoroheptan-4-ol
PubChem CID140691900
Molecular FormulaC37H71FO7Si6
Molecular Weight815.48 g/mol
Exact Mass814.38
IUPAC Name1,7-bis[[4-[dimethyl(2-trimethoxysilylethyl)silyl]phenyl]-dimethylsilyl]-4-fluoroheptan-4-ol
SMILESCO[Si](CC[Si](C)(C)c1ccc([Si](C)(C)CCCC(O)(F)CCC[Si](C)(C)c2ccc([Si](C)(C)CC[Si](OC)(OC)OC)cc2)cc1)(OC)OC
InChIInChI=1S/C37H71FO7Si6/c1-40-50(41-2,42-3)31-29-48(11,12)35-21-17-33(18-22-35)46(7,8)27-15-25-37(38,39)26-16-28-47(9,10)34-19-23-36(24-20-34)49(13,14)30-32-51(43-4,44-5)45-6/h17-24,39H,15-16,25-32H2,1-14H3
InChIKeyGJUNTDGKOCBNMF-UHFFFAOYSA-N
XLogP7.02
TPSA75.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds24
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500815.48
LogP ≤ 57.02
H-Bond Donors ≤ 51
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 1,7-bis[[4-[dimethyl(2-trimethoxysilylethyl)silyl]phenyl]-dimethylsilyl]-4-fluoroheptan-4-ol?
The IUPAC name of 1,7-bis[[4-[dimethyl(2-trimethoxysilylethyl)silyl]phenyl]-dimethylsilyl]-4-fluoroheptan-4-ol (CID 140691900) is 1,7-bis[[4-[dimethyl(2-trimethoxysilylethyl)silyl]phenyl]-dimethylsilyl]-4-fluoroheptan-4-ol.
What is the SMILES notation for 1,7-bis[[4-[dimethyl(2-trimethoxysilylethyl)silyl]phenyl]-dimethylsilyl]-4-fluoroheptan-4-ol?
The canonical SMILES for 1,7-bis[[4-[dimethyl(2-trimethoxysilylethyl)silyl]phenyl]-dimethylsilyl]-4-fluoroheptan-4-ol is CO[Si](CC[Si](C)(C)c1ccc([Si](C)(C)CCCC(O)(F)CCC[Si](C)(C)c2ccc([Si](C)(C)CC[Si](OC)(OC)OC)cc2)cc1)(OC)OC.
What is the InChIKey of 1,7-bis[[4-[dimethyl(2-trimethoxysilylethyl)silyl]phenyl]-dimethylsilyl]-4-fluoroheptan-4-ol?
The InChIKey is GJUNTDGKOCBNMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H71FO7Si6/c1-40-50(41-2,42-3)31-29-48(11,12)35-21-17-33(18-22-35)46(7,8)27-15-25-37(38,39)26-16-28-47(9,10)34-19-23-36(24-20-34)49(13,14)30-32-51(43-4,44-5)45-6/h17-24,39H,15-16,25-32H2,1-14H3.
What are the key properties of 1,7-bis[[4-[dimethyl(2-trimethoxysilylethyl)silyl]phenyl]-dimethylsilyl]-4-fluoroheptan-4-ol?
1,7-bis[[4-[dimethyl(2-trimethoxysilylethyl)silyl]phenyl]-dimethylsilyl]-4-fluoroheptan-4-ol has a molecular weight of 815.48 g/mol, XLogP of 7.02, 24 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-bis[[4-[dimethyl(2-trimethoxysilylethyl)silyl]phenyl]-dimethylsilyl]-4-fluoroheptan-4-ol is sourced from PubChem (CID 140691900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).