dimethyl-nonan-3-yloxy-(2,3,4,5,6-pentafluorophenyl)silane

C17H25F5OSi — CID 523429

IUPACdimethyl-nonan-3-yloxy-(2,3,4,5,6-pentafluorophenyl)silane
SMILESCCCCCCC(CC)O[Si](C)(C)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C17H25F5OSi/c1-5-7-8-9-10-11(6-2)23-24(3,4)17-15(21)13(19)12(18)14(20)16(17)22/h11H,5-10H2,1-4H3
InChIKeyRDYJAFCMTRSSDA-UHFFFAOYSA-N
MW368.46 g/mol
LogP5.56
Rot. Bonds9

About dimethyl-nonan-3-yloxy-(2,3,4,5,6-pentafluorophenyl)silane

dimethyl-nonan-3-yloxy-(2,3,4,5,6-pentafluorophenyl)silane (PubChem CID 523429) has the molecular formula C17H25F5OSi and a molecular weight of 368.46 g/mol. Its IUPAC name is dimethyl-nonan-3-yloxy-(2,3,4,5,6-pentafluorophenyl)silane.

Molecular Properties

Compound Namedimethyl-nonan-3-yloxy-(2,3,4,5,6-pentafluorophenyl)silane
PubChem CID523429
Molecular FormulaC17H25F5OSi
Molecular Weight368.46 g/mol
Exact Mass368.16
IUPAC Namedimethyl-nonan-3-yloxy-(2,3,4,5,6-pentafluorophenyl)silane
SMILESCCCCCCC(CC)O[Si](C)(C)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C17H25F5OSi/c1-5-7-8-9-10-11(6-2)23-24(3,4)17-15(21)13(19)12(18)14(20)16(17)22/h11H,5-10H2,1-4H3
InChIKeyRDYJAFCMTRSSDA-UHFFFAOYSA-N
XLogP5.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.46
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethyl-nonan-3-yloxy-(2,3,4,5,6-pentafluorophenyl)silane?
The IUPAC name of dimethyl-nonan-3-yloxy-(2,3,4,5,6-pentafluorophenyl)silane (CID 523429) is dimethyl-nonan-3-yloxy-(2,3,4,5,6-pentafluorophenyl)silane.
What is the SMILES notation for dimethyl-nonan-3-yloxy-(2,3,4,5,6-pentafluorophenyl)silane?
The canonical SMILES for dimethyl-nonan-3-yloxy-(2,3,4,5,6-pentafluorophenyl)silane is CCCCCCC(CC)O[Si](C)(C)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of dimethyl-nonan-3-yloxy-(2,3,4,5,6-pentafluorophenyl)silane?
The InChIKey is RDYJAFCMTRSSDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F5OSi/c1-5-7-8-9-10-11(6-2)23-24(3,4)17-15(21)13(19)12(18)14(20)16(17)22/h11H,5-10H2,1-4H3.
What are the key properties of dimethyl-nonan-3-yloxy-(2,3,4,5,6-pentafluorophenyl)silane?
dimethyl-nonan-3-yloxy-(2,3,4,5,6-pentafluorophenyl)silane has a molecular weight of 368.46 g/mol, XLogP of 5.56, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-nonan-3-yloxy-(2,3,4,5,6-pentafluorophenyl)silane is sourced from PubChem (CID 523429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).