dimethyl-(4-methylpentoxy)-(2,2,3,3,4,4,5,5-octafluoropentoxy)silane

C13H22F8O2Si — CID 91698245

IUPACdimethyl-(4-methylpentoxy)-(2,2,3,3,4,4,5,5-octafluoropentoxy)silane
SMILESCC(C)CCCO[Si](C)(C)OCC(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C13H22F8O2Si/c1-9(2)6-5-7-22-24(3,4)23-8-11(16,17)13(20,21)12(18,19)10(14)15/h9-10H,5-8H2,1-4H3
InChIKeyPHZCINNPDUSJAN-UHFFFAOYSA-N
MW390.39 g/mol
LogP5.33
Rot. Bonds11

About dimethyl-(4-methylpentoxy)-(2,2,3,3,4,4,5,5-octafluoropentoxy)silane

dimethyl-(4-methylpentoxy)-(2,2,3,3,4,4,5,5-octafluoropentoxy)silane (PubChem CID 91698245) has the molecular formula C13H22F8O2Si and a molecular weight of 390.39 g/mol. Its IUPAC name is dimethyl-(4-methylpentoxy)-(2,2,3,3,4,4,5,5-octafluoropentoxy)silane.

Molecular Properties

Compound Namedimethyl-(4-methylpentoxy)-(2,2,3,3,4,4,5,5-octafluoropentoxy)silane
PubChem CID91698245
Molecular FormulaC13H22F8O2Si
Molecular Weight390.39 g/mol
Exact Mass390.13
IUPAC Namedimethyl-(4-methylpentoxy)-(2,2,3,3,4,4,5,5-octafluoropentoxy)silane
SMILESCC(C)CCCO[Si](C)(C)OCC(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C13H22F8O2Si/c1-9(2)6-5-7-22-24(3,4)23-8-11(16,17)13(20,21)12(18,19)10(14)15/h9-10H,5-8H2,1-4H3
InChIKeyPHZCINNPDUSJAN-UHFFFAOYSA-N
XLogP5.33
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.39
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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Related Compounds

Silane, dimethyldi(2,2,3,3,4,4,5,5-octafluoropentyloxy)-
CID 13583182
Silane, dimethyl(2,2,3,3,4,4,5,5-octafluoropentyloxy)pentyloxy-
CID 91694860
2,2,3,3,4,4,5,5-Octafluoropentan-1-ol, tert-butyldimethylsilyl ether
CID 91697458
2,2,3,5,5,5-Hexafluoropentoxy-methoxy-methyl-propylsilane
CID 141288316
Triethoxy-[4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentyl]silane
CID 152557275
Silane, dimethylisobutoxyisohexyloxy-
CID 91698388
Silane, dimethyl(2-methylbutoxy)isohexyloxy-
CID 91698394
Silane, dimethylpentyloxyisohexyloxy-
CID 91736692

Frequently Asked Questions

What is the IUPAC name of dimethyl-(4-methylpentoxy)-(2,2,3,3,4,4,5,5-octafluoropentoxy)silane?
The IUPAC name of dimethyl-(4-methylpentoxy)-(2,2,3,3,4,4,5,5-octafluoropentoxy)silane (CID 91698245) is dimethyl-(4-methylpentoxy)-(2,2,3,3,4,4,5,5-octafluoropentoxy)silane.
What is the SMILES notation for dimethyl-(4-methylpentoxy)-(2,2,3,3,4,4,5,5-octafluoropentoxy)silane?
The canonical SMILES for dimethyl-(4-methylpentoxy)-(2,2,3,3,4,4,5,5-octafluoropentoxy)silane is CC(C)CCCO[Si](C)(C)OCC(F)(F)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of dimethyl-(4-methylpentoxy)-(2,2,3,3,4,4,5,5-octafluoropentoxy)silane?
The InChIKey is PHZCINNPDUSJAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F8O2Si/c1-9(2)6-5-7-22-24(3,4)23-8-11(16,17)13(20,21)12(18,19)10(14)15/h9-10H,5-8H2,1-4H3.
What are the key properties of dimethyl-(4-methylpentoxy)-(2,2,3,3,4,4,5,5-octafluoropentoxy)silane?
dimethyl-(4-methylpentoxy)-(2,2,3,3,4,4,5,5-octafluoropentoxy)silane has a molecular weight of 390.39 g/mol, XLogP of 5.33, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-(4-methylpentoxy)-(2,2,3,3,4,4,5,5-octafluoropentoxy)silane is sourced from PubChem (CID 91698245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).