trimethoxy-[3-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)oxypropyl]silane

C12H15F11O4Si — CID 21080031

IUPACtrimethoxy-[3-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)oxypropyl]silane
SMILESCO[Si](CCCOC1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F)(OC)OC
InChIInChI=1S/C12H15F11O4Si/c1-24-28(25-2,26-3)6-4-5-27-12(23)10(19,20)8(15,16)7(13,14)9(17,18)11(12,21)22/h4-6H2,1-3H3
InChIKeyKGDRVNVVENRUAE-UHFFFAOYSA-N
MW460.31 g/mol
LogP4.13
Rot. Bonds8

About trimethoxy-[3-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)oxypropyl]silane

trimethoxy-[3-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)oxypropyl]silane (PubChem CID 21080031) has the molecular formula C12H15F11O4Si and a molecular weight of 460.31 g/mol. Its IUPAC name is trimethoxy-[3-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)oxypropyl]silane.

Molecular Properties

Compound Nametrimethoxy-[3-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)oxypropyl]silane
PubChem CID21080031
Molecular FormulaC12H15F11O4Si
Molecular Weight460.31 g/mol
Exact Mass460.06
IUPAC Nametrimethoxy-[3-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)oxypropyl]silane
SMILESCO[Si](CCCOC1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F)(OC)OC
InChIInChI=1S/C12H15F11O4Si/c1-24-28(25-2,26-3)6-4-5-27-12(23)10(19,20)8(15,16)7(13,14)9(17,18)11(12,21)22/h4-6H2,1-3H3
InChIKeyKGDRVNVVENRUAE-UHFFFAOYSA-N
XLogP4.13
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.31
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 trimethoxy-[3-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)oxypropyl]silane?
The IUPAC name of trimethoxy-[3-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)oxypropyl]silane (CID 21080031) is trimethoxy-[3-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)oxypropyl]silane.
What is the SMILES notation for trimethoxy-[3-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)oxypropyl]silane?
The canonical SMILES for trimethoxy-[3-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)oxypropyl]silane is CO[Si](CCCOC1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F)(OC)OC.
What is the InChIKey of trimethoxy-[3-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)oxypropyl]silane?
The InChIKey is KGDRVNVVENRUAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F11O4Si/c1-24-28(25-2,26-3)6-4-5-27-12(23)10(19,20)8(15,16)7(13,14)9(17,18)11(12,21)22/h4-6H2,1-3H3.
What are the key properties of trimethoxy-[3-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)oxypropyl]silane?
trimethoxy-[3-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)oxypropyl]silane has a molecular weight of 460.31 g/mol, XLogP of 4.13, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethoxy-[3-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)oxypropyl]silane is sourced from PubChem (CID 21080031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).