3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl(dimethoxy)silane;methoxymethane

C14H17F17O3Si — CID 158558916

IUPAC3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl(dimethoxy)silane;methoxymethane
SMILESCOC.CO[SiH](CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OC
InChIInChI=1S/C12H11F17O2Si.C2H6O/c1-30-32(31-2)4-3-5(13,14)6(15,16)7(17,18)8(19,20)9(21,22)10(23,24)11(25,26)12(27,28)29;1-3-2/h32H,3-4H2,1-2H3;1-2H3
InChIKeyHQQFWOXSBOYWKA-UHFFFAOYSA-N
MW584.34 g/mol
LogP6.16
Rot. Bonds11

About 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl(dimethoxy)silane;methoxymethane

3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl(dimethoxy)silane;methoxymethane (PubChem CID 158558916) has the molecular formula C14H17F17O3Si and a molecular weight of 584.34 g/mol. Its IUPAC name is 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl(dimethoxy)silane;methoxymethane.

Molecular Properties

Compound Name3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl(dimethoxy)silane;methoxymethane
PubChem CID158558916
Molecular FormulaC14H17F17O3Si
Molecular Weight584.34 g/mol
Exact Mass584.07
IUPAC Name3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl(dimethoxy)silane;methoxymethane
SMILESCOC.CO[SiH](CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OC
InChIInChI=1S/C12H11F17O2Si.C2H6O/c1-30-32(31-2)4-3-5(13,14)6(15,16)7(17,18)8(19,20)9(21,22)10(23,24)11(25,26)12(27,28)29;1-3-2/h32H,3-4H2,1-2H3;1-2H3
InChIKeyHQQFWOXSBOYWKA-UHFFFAOYSA-N
XLogP6.16
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.34
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

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Frequently Asked Questions

What is the IUPAC name of 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl(dimethoxy)silane;methoxymethane?
The IUPAC name of 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl(dimethoxy)silane;methoxymethane (CID 158558916) is 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl(dimethoxy)silane;methoxymethane.
What is the SMILES notation for 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl(dimethoxy)silane;methoxymethane?
The canonical SMILES for 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl(dimethoxy)silane;methoxymethane is COC.CO[SiH](CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OC.
What is the InChIKey of 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl(dimethoxy)silane;methoxymethane?
The InChIKey is HQQFWOXSBOYWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F17O2Si.C2H6O/c1-30-32(31-2)4-3-5(13,14)6(15,16)7(17,18)8(19,20)9(21,22)10(23,24)11(25,26)12(27,28)29;1-3-2/h32H,3-4H2,1-2H3;1-2H3.
What are the key properties of 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl(dimethoxy)silane;methoxymethane?
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl(dimethoxy)silane;methoxymethane has a molecular weight of 584.34 g/mol, XLogP of 6.16, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl(dimethoxy)silane;methoxymethane is sourced from PubChem (CID 158558916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).