methoxy-dipropyl-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane

C15H21F13OSi — CID 59112335

IUPACmethoxy-dipropyl-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane
SMILESCCC[Si](CCC)(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OC
InChIInChI=1S/C15H21F13OSi/c1-4-7-30(29-3,8-5-2)9-6-10(16,17)11(18,19)12(20,21)13(22,23)14(24,25)15(26,27)28/h4-9H2,1-3H3
InChIKeyLNJRRFKVRSWKIE-UHFFFAOYSA-N
MW492.39 g/mol
LogP7.53
Rot. Bonds12

About methoxy-dipropyl-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane

methoxy-dipropyl-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane (PubChem CID 59112335) has the molecular formula C15H21F13OSi and a molecular weight of 492.39 g/mol. Its IUPAC name is methoxy-dipropyl-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane.

Molecular Properties

Compound Namemethoxy-dipropyl-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane
PubChem CID59112335
Molecular FormulaC15H21F13OSi
Molecular Weight492.39 g/mol
Exact Mass492.12
IUPAC Namemethoxy-dipropyl-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane
SMILESCCC[Si](CCC)(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OC
InChIInChI=1S/C15H21F13OSi/c1-4-7-30(29-3,8-5-2)9-6-10(16,17)11(18,19)12(20,21)13(22,23)14(24,25)15(26,27)28/h4-9H2,1-3H3
InChIKeyLNJRRFKVRSWKIE-UHFFFAOYSA-N
XLogP7.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.39
LogP ≤ 57.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 methoxy-dipropyl-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane?
The IUPAC name of methoxy-dipropyl-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane (CID 59112335) is methoxy-dipropyl-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane.
What is the SMILES notation for methoxy-dipropyl-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane?
The canonical SMILES for methoxy-dipropyl-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane is CCC[Si](CCC)(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OC.
What is the InChIKey of methoxy-dipropyl-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane?
The InChIKey is LNJRRFKVRSWKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F13OSi/c1-4-7-30(29-3,8-5-2)9-6-10(16,17)11(18,19)12(20,21)13(22,23)14(24,25)15(26,27)28/h4-9H2,1-3H3.
What are the key properties of methoxy-dipropyl-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane?
methoxy-dipropyl-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane has a molecular weight of 492.39 g/mol, XLogP of 7.53, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy-dipropyl-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane is sourced from PubChem (CID 59112335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).