dihydroxy-propan-2-yloxy-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane

C11H13F13O3Si — CID 146677468

IUPACdihydroxy-propan-2-yloxy-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane
SMILESCC(C)O[Si](O)(O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H13F13O3Si/c1-5(2)27-28(25,26)4-3-6(12,13)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h5,25-26H,3-4H2,1-2H3
InChIKeyDYUYMJMZPDJHIG-UHFFFAOYSA-N
MW468.28 g/mol
LogP4.46
Rot. Bonds9

About dihydroxy-propan-2-yloxy-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane

dihydroxy-propan-2-yloxy-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane (PubChem CID 146677468) has the molecular formula C11H13F13O3Si and a molecular weight of 468.28 g/mol. Its IUPAC name is dihydroxy-propan-2-yloxy-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane.

Molecular Properties

Compound Namedihydroxy-propan-2-yloxy-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane
PubChem CID146677468
Molecular FormulaC11H13F13O3Si
Molecular Weight468.28 g/mol
Exact Mass468.04
IUPAC Namedihydroxy-propan-2-yloxy-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane
SMILESCC(C)O[Si](O)(O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H13F13O3Si/c1-5(2)27-28(25,26)4-3-6(12,13)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h5,25-26H,3-4H2,1-2H3
InChIKeyDYUYMJMZPDJHIG-UHFFFAOYSA-N
XLogP4.46
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.28
LogP ≤ 54.46
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of dihydroxy-propan-2-yloxy-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane?
The IUPAC name of dihydroxy-propan-2-yloxy-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane (CID 146677468) is dihydroxy-propan-2-yloxy-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane.
What is the SMILES notation for dihydroxy-propan-2-yloxy-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane?
The canonical SMILES for dihydroxy-propan-2-yloxy-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane is CC(C)O[Si](O)(O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of dihydroxy-propan-2-yloxy-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane?
The InChIKey is DYUYMJMZPDJHIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F13O3Si/c1-5(2)27-28(25,26)4-3-6(12,13)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h5,25-26H,3-4H2,1-2H3.
What are the key properties of dihydroxy-propan-2-yloxy-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane?
dihydroxy-propan-2-yloxy-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane has a molecular weight of 468.28 g/mol, XLogP of 4.46, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy-propan-2-yloxy-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane is sourced from PubChem (CID 146677468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).