2-methoxy-2,6-dimethyl-8-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)-1,6,2-oxazasilocane

C13H20F9NO2Si — CID 140723502

IUPAC2-methoxy-2,6-dimethyl-8-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)-1,6,2-oxazasilocane
SMILESCO[Si]1(C)CCCN(C)CC(CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O1
InChIInChI=1S/C13H20F9NO2Si/c1-23-5-4-6-26(3,24-2)25-9(8-23)7-10(14,15)11(16,17)12(18,19)13(20,21)22/h9H,4-8H2,1-3H3
InChIKeyDYYVWOOPGWKRFQ-UHFFFAOYSA-N
MW421.38 g/mol
LogP4.28
Rot. Bonds5

About 2-methoxy-2,6-dimethyl-8-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)-1,6,2-oxazasilocane

2-methoxy-2,6-dimethyl-8-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)-1,6,2-oxazasilocane (PubChem CID 140723502) has the molecular formula C13H20F9NO2Si and a molecular weight of 421.38 g/mol. Its IUPAC name is 2-methoxy-2,6-dimethyl-8-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)-1,6,2-oxazasilocane.

Molecular Properties

Compound Name2-methoxy-2,6-dimethyl-8-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)-1,6,2-oxazasilocane
PubChem CID140723502
Molecular FormulaC13H20F9NO2Si
Molecular Weight421.38 g/mol
Exact Mass421.11
IUPAC Name2-methoxy-2,6-dimethyl-8-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)-1,6,2-oxazasilocane
SMILESCO[Si]1(C)CCCN(C)CC(CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O1
InChIInChI=1S/C13H20F9NO2Si/c1-23-5-4-6-26(3,24-2)25-9(8-23)7-10(14,15)11(16,17)12(18,19)13(20,21)22/h9H,4-8H2,1-3H3
InChIKeyDYYVWOOPGWKRFQ-UHFFFAOYSA-N
XLogP4.28
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.38
LogP ≤ 54.28
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 2-methoxy-2,6-dimethyl-8-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)-1,6,2-oxazasilocane?
The IUPAC name of 2-methoxy-2,6-dimethyl-8-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)-1,6,2-oxazasilocane (CID 140723502) is 2-methoxy-2,6-dimethyl-8-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)-1,6,2-oxazasilocane.
What is the SMILES notation for 2-methoxy-2,6-dimethyl-8-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)-1,6,2-oxazasilocane?
The canonical SMILES for 2-methoxy-2,6-dimethyl-8-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)-1,6,2-oxazasilocane is CO[Si]1(C)CCCN(C)CC(CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O1.
What is the InChIKey of 2-methoxy-2,6-dimethyl-8-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)-1,6,2-oxazasilocane?
The InChIKey is DYYVWOOPGWKRFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F9NO2Si/c1-23-5-4-6-26(3,24-2)25-9(8-23)7-10(14,15)11(16,17)12(18,19)13(20,21)22/h9H,4-8H2,1-3H3.
What are the key properties of 2-methoxy-2,6-dimethyl-8-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)-1,6,2-oxazasilocane?
2-methoxy-2,6-dimethyl-8-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)-1,6,2-oxazasilocane has a molecular weight of 421.38 g/mol, XLogP of 4.28, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2,6-dimethyl-8-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)-1,6,2-oxazasilocane is sourced from PubChem (CID 140723502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).