2-methyl-6-(1,1,2,2,3,3,4,4-octafluorobutyl)-2-(1,1,2,2,2-pentafluoroethoxy)oxasilinane

C11H11F13O2Si — CID 19688934

IUPAC2-methyl-6-(1,1,2,2,3,3,4,4-octafluorobutyl)-2-(1,1,2,2,2-pentafluoroethoxy)oxasilinane
SMILESC[Si]1(OC(F)(F)C(F)(F)F)CCCC(C(F)(F)C(F)(F)C(F)(F)C(F)F)O1
InChIInChI=1S/C11H11F13O2Si/c1-27(26-11(23,24)10(20,21)22)4-2-3-5(25-27)7(14,15)9(18,19)8(16,17)6(12)13/h5-6H,2-4H2,1H3
InChIKeyALXZQDPATAJSNA-UHFFFAOYSA-N
MW450.27 g/mol
LogP5.58
Rot. Bonds6

About 2-methyl-6-(1,1,2,2,3,3,4,4-octafluorobutyl)-2-(1,1,2,2,2-pentafluoroethoxy)oxasilinane

2-methyl-6-(1,1,2,2,3,3,4,4-octafluorobutyl)-2-(1,1,2,2,2-pentafluoroethoxy)oxasilinane (PubChem CID 19688934) has the molecular formula C11H11F13O2Si and a molecular weight of 450.27 g/mol. Its IUPAC name is 2-methyl-6-(1,1,2,2,3,3,4,4-octafluorobutyl)-2-(1,1,2,2,2-pentafluoroethoxy)oxasilinane.

Molecular Properties

Compound Name2-methyl-6-(1,1,2,2,3,3,4,4-octafluorobutyl)-2-(1,1,2,2,2-pentafluoroethoxy)oxasilinane
PubChem CID19688934
Molecular FormulaC11H11F13O2Si
Molecular Weight450.27 g/mol
Exact Mass450.03
IUPAC Name2-methyl-6-(1,1,2,2,3,3,4,4-octafluorobutyl)-2-(1,1,2,2,2-pentafluoroethoxy)oxasilinane
SMILESC[Si]1(OC(F)(F)C(F)(F)F)CCCC(C(F)(F)C(F)(F)C(F)(F)C(F)F)O1
InChIInChI=1S/C11H11F13O2Si/c1-27(26-11(23,24)10(20,21)22)4-2-3-5(25-27)7(14,15)9(18,19)8(16,17)6(12)13/h5-6H,2-4H2,1H3
InChIKeyALXZQDPATAJSNA-UHFFFAOYSA-N
XLogP5.58
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.27
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methyl-6-(1,1,2,2,3,3,4,4-octafluorobutyl)-2-(1,1,2,2,2-pentafluoroethoxy)oxasilinane with MolForge

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Related Compounds

(Perfluorohexyl)ethyltriethoxysilane
CID 129830679
2,2-Dimethyl-6-(3,3,3-trifluoropropyl)oxasilinane
CID 19922170
2,2-Dimethyl-6-(2,3,3-trifluoropropyl)oxasilinane
CID 66764302
2,2-Dihydroxy-6-(2,2,3-trifluorobutyl)oxasilinane
CID 69101183
2,2-Dihydroxy-6-(3,4,4-trifluorobutyl)oxasilinane
CID 69101184
2,2-Dimethyl-6-(3,4,4-trifluorobutyl)oxasilinane
CID 70183797
Methyl-di(propan-2-yloxy)-(1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluorooctyl)silane
CID 87247854
Methyl-di(propan-2-yloxy)-(1,2,2,3,3,4,4,5,5,6,7,8,8-tridecafluorooctyl)silane
CID 87247855
Methyl-di(propan-2-yloxy)-(1,1,2,2,3,3,4,4,5,5,8,8,8-tridecafluorooctyl)silane
CID 87247856
Ethoxy-ethyl-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecan-2-yloxy)-methylsilane
CID 88234648
2-Methyl-2-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctan-2-yl)oxasilinane
CID 88376526
2-(1,2,2,3,3,4,4,5,5,6,6,7,7,8,9,10,10-Heptadecafluorodecyl)-2-methyloxasilinane
CID 88515503

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(1,1,2,2,3,3,4,4-octafluorobutyl)-2-(1,1,2,2,2-pentafluoroethoxy)oxasilinane?
The IUPAC name of 2-methyl-6-(1,1,2,2,3,3,4,4-octafluorobutyl)-2-(1,1,2,2,2-pentafluoroethoxy)oxasilinane (CID 19688934) is 2-methyl-6-(1,1,2,2,3,3,4,4-octafluorobutyl)-2-(1,1,2,2,2-pentafluoroethoxy)oxasilinane.
What is the SMILES notation for 2-methyl-6-(1,1,2,2,3,3,4,4-octafluorobutyl)-2-(1,1,2,2,2-pentafluoroethoxy)oxasilinane?
The canonical SMILES for 2-methyl-6-(1,1,2,2,3,3,4,4-octafluorobutyl)-2-(1,1,2,2,2-pentafluoroethoxy)oxasilinane is C[Si]1(OC(F)(F)C(F)(F)F)CCCC(C(F)(F)C(F)(F)C(F)(F)C(F)F)O1.
What is the InChIKey of 2-methyl-6-(1,1,2,2,3,3,4,4-octafluorobutyl)-2-(1,1,2,2,2-pentafluoroethoxy)oxasilinane?
The InChIKey is ALXZQDPATAJSNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F13O2Si/c1-27(26-11(23,24)10(20,21)22)4-2-3-5(25-27)7(14,15)9(18,19)8(16,17)6(12)13/h5-6H,2-4H2,1H3.
What are the key properties of 2-methyl-6-(1,1,2,2,3,3,4,4-octafluorobutyl)-2-(1,1,2,2,2-pentafluoroethoxy)oxasilinane?
2-methyl-6-(1,1,2,2,3,3,4,4-octafluorobutyl)-2-(1,1,2,2,2-pentafluoroethoxy)oxasilinane has a molecular weight of 450.27 g/mol, XLogP of 5.58, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(1,1,2,2,3,3,4,4-octafluorobutyl)-2-(1,1,2,2,2-pentafluoroethoxy)oxasilinane is sourced from PubChem (CID 19688934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).