methyl-di(propan-2-yloxy)-(1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluorooctyl)silane

C15H21F13O2Si — CID 87247854

IUPACmethyl-di(propan-2-yloxy)-(1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluorooctyl)silane
SMILESCC(C)O[Si](C)(OC(C)C)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(C)F
InChIInChI=1S/C15H21F13O2Si/c1-7(2)29-31(6,30-8(3)4)15(27,28)14(25,26)13(23,24)12(21,22)11(19,20)10(17,18)9(5)16/h7-9H,1-6H3
InChIKeyOJXYNJVQRAFUBM-UHFFFAOYSA-N
MW508.39 g/mol
LogP6.62
Rot. Bonds11

About methyl-di(propan-2-yloxy)-(1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluorooctyl)silane

methyl-di(propan-2-yloxy)-(1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluorooctyl)silane (PubChem CID 87247854) has the molecular formula C15H21F13O2Si and a molecular weight of 508.39 g/mol. Its IUPAC name is methyl-di(propan-2-yloxy)-(1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluorooctyl)silane.

Molecular Properties

Compound Namemethyl-di(propan-2-yloxy)-(1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluorooctyl)silane
PubChem CID87247854
Molecular FormulaC15H21F13O2Si
Molecular Weight508.39 g/mol
Exact Mass508.11
IUPAC Namemethyl-di(propan-2-yloxy)-(1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluorooctyl)silane
SMILESCC(C)O[Si](C)(OC(C)C)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(C)F
InChIInChI=1S/C15H21F13O2Si/c1-7(2)29-31(6,30-8(3)4)15(27,28)14(25,26)13(23,24)12(21,22)11(19,20)10(17,18)9(5)16/h7-9H,1-6H3
InChIKeyOJXYNJVQRAFUBM-UHFFFAOYSA-N
XLogP6.62
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.39
LogP ≤ 56.62
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'}

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Frequently Asked Questions

What is the IUPAC name of methyl-di(propan-2-yloxy)-(1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluorooctyl)silane?
The IUPAC name of methyl-di(propan-2-yloxy)-(1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluorooctyl)silane (CID 87247854) is methyl-di(propan-2-yloxy)-(1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluorooctyl)silane.
What is the SMILES notation for methyl-di(propan-2-yloxy)-(1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluorooctyl)silane?
The canonical SMILES for methyl-di(propan-2-yloxy)-(1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluorooctyl)silane is CC(C)O[Si](C)(OC(C)C)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(C)F.
What is the InChIKey of methyl-di(propan-2-yloxy)-(1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluorooctyl)silane?
The InChIKey is OJXYNJVQRAFUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F13O2Si/c1-7(2)29-31(6,30-8(3)4)15(27,28)14(25,26)13(23,24)12(21,22)11(19,20)10(17,18)9(5)16/h7-9H,1-6H3.
What are the key properties of methyl-di(propan-2-yloxy)-(1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluorooctyl)silane?
methyl-di(propan-2-yloxy)-(1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluorooctyl)silane has a molecular weight of 508.39 g/mol, XLogP of 6.62, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-di(propan-2-yloxy)-(1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluorooctyl)silane is sourced from PubChem (CID 87247854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).