3,3,4,4,5,5-hexafluoro-1-(trifluoromethoxy)hexane;trimethoxy-[4-[methyl-bis(3-trimethoxysilylpropyl)silyl]hexyl]silane

C29H61F9O10Si4 — CID 161229551

IUPAC3,3,4,4,5,5-hexafluoro-1-(trifluoromethoxy)hexane;trimethoxy-[4-[methyl-bis(3-trimethoxysilylpropyl)silyl]hexyl]silane
SMILESCC(F)(F)C(F)(F)C(F)(F)CCOC(F)(F)F.CCC(CCC[Si](OC)(OC)OC)[Si](C)(CCC[Si](OC)(OC)OC)CCC[Si](OC)(OC)OC
InChIInChI=1S/C22H54O9Si4.C7H7F9O/c1-12-22(16-13-19-33(23-2,24-3)25-4)32(11,17-14-20-34(26-5,27-6)28-7)18-15-21-35(29-8,30-9)31-10;1-4(8,9)6(12,13)5(10,11)2-3-17-7(14,15)16/h22H,12-21H2,1-11H3;2-3H2,1H3
InChIKeyUYOMVLAFMRMYRD-UHFFFAOYSA-N
MW853.12 g/mol
LogP8.88
Rot. Bonds28

About 3,3,4,4,5,5-hexafluoro-1-(trifluoromethoxy)hexane;trimethoxy-[4-[methyl-bis(3-trimethoxysilylpropyl)silyl]hexyl]silane

3,3,4,4,5,5-hexafluoro-1-(trifluoromethoxy)hexane;trimethoxy-[4-[methyl-bis(3-trimethoxysilylpropyl)silyl]hexyl]silane (PubChem CID 161229551) has the molecular formula C29H61F9O10Si4 and a molecular weight of 853.12 g/mol. Its IUPAC name is 3,3,4,4,5,5-hexafluoro-1-(trifluoromethoxy)hexane;trimethoxy-[4-[methyl-bis(3-trimethoxysilylpropyl)silyl]hexyl]silane.

Molecular Properties

Compound Name3,3,4,4,5,5-hexafluoro-1-(trifluoromethoxy)hexane;trimethoxy-[4-[methyl-bis(3-trimethoxysilylpropyl)silyl]hexyl]silane
PubChem CID161229551
Molecular FormulaC29H61F9O10Si4
Molecular Weight853.12 g/mol
Exact Mass852.32
IUPAC Name3,3,4,4,5,5-hexafluoro-1-(trifluoromethoxy)hexane;trimethoxy-[4-[methyl-bis(3-trimethoxysilylpropyl)silyl]hexyl]silane
SMILESCC(F)(F)C(F)(F)C(F)(F)CCOC(F)(F)F.CCC(CCC[Si](OC)(OC)OC)[Si](C)(CCC[Si](OC)(OC)OC)CCC[Si](OC)(OC)OC
InChIInChI=1S/C22H54O9Si4.C7H7F9O/c1-12-22(16-13-19-33(23-2,24-3)25-4)32(11,17-14-20-34(26-5,27-6)28-7)18-15-21-35(29-8,30-9)31-10;1-4(8,9)6(12,13)5(10,11)2-3-17-7(14,15)16/h22H,12-21H2,1-11H3;2-3H2,1H3
InChIKeyUYOMVLAFMRMYRD-UHFFFAOYSA-N
XLogP8.88
TPSA92.30 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds28
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500853.12
LogP ≤ 58.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

3,3,4,4,5,5-hexafluoro-1-(trifluoromethoxy)hexane;hex-5-en-3-yl-methyl-bis(prop-2-enyl)silane
CID 157231509
dichloro-(1-iodopropyl)-methylsilane;3,3,4,4,5,5-hexafluoro-1-(trifluoromethoxy)hexane
CID 157466502
trimethoxy(3,3,4,4,5,5,6,6,7,7,8,8,9,9-tetradecafluorodecyl)silane
CID 102247374
trimethoxy(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-octadecafluorododecyl)silane
CID 54195481
N-[2,2-bis(prop-2-enyl)pent-4-enyl]acetamide;3,3,4,4,5,5-hexafluoro-1-(trifluoromethoxy)hexane
CID 159419758
[4-[dimethyl(3-trimethoxysilylpropyl)silyl]phenyl]-dodecan-3-yl-dimethylsilane
CID 155609338
3-(1,1,2,2,3,3,3-heptafluoropropoxy)propyl-trimethoxysilane
CID 2733757
3-(1,1,2,2,8,8,8-heptafluorooctoxy)propyl-trimethoxysilane
CID 141120987
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,17-hentriacontafluoroheptadecyl(trimethoxy)silane
CID 175694492
trimethoxy-[3-[3-[4-methyl-1,7-bis[tris(3-trimethoxysilylpropyl)silyl]heptan-4-yl]oxypropyl-bis(3-trimethoxysilylpropyl)silyl]propyl]silane
CID 160847650
4,4,5,5,6,6,7,7,8,8,9,9-dodecafluorodecan-3-yl(trimethoxy)silane
CID 89407213
trimethoxy-[3-[methyl-bis(3-trimethoxysilylpropyl)silyl]propyl]silane
CID 87832175

Frequently Asked Questions

What is the IUPAC name of 3,3,4,4,5,5-hexafluoro-1-(trifluoromethoxy)hexane;trimethoxy-[4-[methyl-bis(3-trimethoxysilylpropyl)silyl]hexyl]silane?
The IUPAC name of 3,3,4,4,5,5-hexafluoro-1-(trifluoromethoxy)hexane;trimethoxy-[4-[methyl-bis(3-trimethoxysilylpropyl)silyl]hexyl]silane (CID 161229551) is 3,3,4,4,5,5-hexafluoro-1-(trifluoromethoxy)hexane;trimethoxy-[4-[methyl-bis(3-trimethoxysilylpropyl)silyl]hexyl]silane.
What is the SMILES notation for 3,3,4,4,5,5-hexafluoro-1-(trifluoromethoxy)hexane;trimethoxy-[4-[methyl-bis(3-trimethoxysilylpropyl)silyl]hexyl]silane?
The canonical SMILES for 3,3,4,4,5,5-hexafluoro-1-(trifluoromethoxy)hexane;trimethoxy-[4-[methyl-bis(3-trimethoxysilylpropyl)silyl]hexyl]silane is CC(F)(F)C(F)(F)C(F)(F)CCOC(F)(F)F.CCC(CCC[Si](OC)(OC)OC)[Si](C)(CCC[Si](OC)(OC)OC)CCC[Si](OC)(OC)OC.
What is the InChIKey of 3,3,4,4,5,5-hexafluoro-1-(trifluoromethoxy)hexane;trimethoxy-[4-[methyl-bis(3-trimethoxysilylpropyl)silyl]hexyl]silane?
The InChIKey is UYOMVLAFMRMYRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H54O9Si4.C7H7F9O/c1-12-22(16-13-19-33(23-2,24-3)25-4)32(11,17-14-20-34(26-5,27-6)28-7)18-15-21-35(29-8,30-9)31-10;1-4(8,9)6(12,13)5(10,11)2-3-17-7(14,15)16/h22H,12-21H2,1-11H3;2-3H2,1H3.
What are the key properties of 3,3,4,4,5,5-hexafluoro-1-(trifluoromethoxy)hexane;trimethoxy-[4-[methyl-bis(3-trimethoxysilylpropyl)silyl]hexyl]silane?
3,3,4,4,5,5-hexafluoro-1-(trifluoromethoxy)hexane;trimethoxy-[4-[methyl-bis(3-trimethoxysilylpropyl)silyl]hexyl]silane has a molecular weight of 853.12 g/mol, XLogP of 8.88, 28 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4,5,5-hexafluoro-1-(trifluoromethoxy)hexane;trimethoxy-[4-[methyl-bis(3-trimethoxysilylpropyl)silyl]hexyl]silane is sourced from PubChem (CID 161229551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).