dimethoxy-[10-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctoxy)decyl]-(2-trimethoxysilylethyl)silane

C25H43F13O6Si2 — CID 142741253

IUPACdimethoxy-[10-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctoxy)decyl]-(2-trimethoxysilylethyl)silane
SMILESCO[Si](CCCCCCCCCCOCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(CC[Si](OC)(OC)OC)OC
InChIInChI=1S/C25H43F13O6Si2/c1-39-45(40-2,18-19-46(41-3,42-4)43-5)17-13-11-9-7-6-8-10-12-15-44-16-14-20(26,27)21(28,29)22(30,31)23(32,33)24(34,35)25(36,37)38/h6-19H2,1-5H3
InChIKeyJIJWXJNBNRCSBH-UHFFFAOYSA-N
MW742.76 g/mol
LogP8.87
Rot. Bonds26

About dimethoxy-[10-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctoxy)decyl]-(2-trimethoxysilylethyl)silane

dimethoxy-[10-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctoxy)decyl]-(2-trimethoxysilylethyl)silane (PubChem CID 142741253) has the molecular formula C25H43F13O6Si2 and a molecular weight of 742.76 g/mol. Its IUPAC name is dimethoxy-[10-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctoxy)decyl]-(2-trimethoxysilylethyl)silane.

Molecular Properties

Compound Namedimethoxy-[10-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctoxy)decyl]-(2-trimethoxysilylethyl)silane
PubChem CID142741253
Molecular FormulaC25H43F13O6Si2
Molecular Weight742.76 g/mol
Exact Mass742.24
IUPAC Namedimethoxy-[10-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctoxy)decyl]-(2-trimethoxysilylethyl)silane
SMILESCO[Si](CCCCCCCCCCOCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(CC[Si](OC)(OC)OC)OC
InChIInChI=1S/C25H43F13O6Si2/c1-39-45(40-2,18-19-46(41-3,42-4)43-5)17-13-11-9-7-6-8-10-12-15-44-16-14-20(26,27)21(28,29)22(30,31)23(32,33)24(34,35)25(36,37)38/h6-19H2,1-5H3
InChIKeyJIJWXJNBNRCSBH-UHFFFAOYSA-N
XLogP8.87
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds26
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500742.76
LogP ≤ 58.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dimethoxy-[10-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctoxy)decyl]-(2-trimethoxysilylethyl)silane?
The IUPAC name of dimethoxy-[10-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctoxy)decyl]-(2-trimethoxysilylethyl)silane (CID 142741253) is dimethoxy-[10-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctoxy)decyl]-(2-trimethoxysilylethyl)silane.
What is the SMILES notation for dimethoxy-[10-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctoxy)decyl]-(2-trimethoxysilylethyl)silane?
The canonical SMILES for dimethoxy-[10-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctoxy)decyl]-(2-trimethoxysilylethyl)silane is CO[Si](CCCCCCCCCCOCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(CC[Si](OC)(OC)OC)OC.
What is the InChIKey of dimethoxy-[10-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctoxy)decyl]-(2-trimethoxysilylethyl)silane?
The InChIKey is JIJWXJNBNRCSBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H43F13O6Si2/c1-39-45(40-2,18-19-46(41-3,42-4)43-5)17-13-11-9-7-6-8-10-12-15-44-16-14-20(26,27)21(28,29)22(30,31)23(32,33)24(34,35)25(36,37)38/h6-19H2,1-5H3.
What are the key properties of dimethoxy-[10-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctoxy)decyl]-(2-trimethoxysilylethyl)silane?
dimethoxy-[10-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctoxy)decyl]-(2-trimethoxysilylethyl)silane has a molecular weight of 742.76 g/mol, XLogP of 8.87, 26 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethoxy-[10-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctoxy)decyl]-(2-trimethoxysilylethyl)silane is sourced from PubChem (CID 142741253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).