dimethyl-(2,3,4,5,6-pentafluorophenyl)-undecoxysilane

C19H29F5OSi — CID 620538

IUPACdimethyl-(2,3,4,5,6-pentafluorophenyl)-undecoxysilane
SMILESCCCCCCCCCCCO[Si](C)(C)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C19H29F5OSi/c1-4-5-6-7-8-9-10-11-12-13-25-26(2,3)19-17(23)15(21)14(20)16(22)18(19)24/h4-13H2,1-3H3
InChIKeyAFBVDVFAVBGBQJ-UHFFFAOYSA-N
MW396.52 g/mol
LogP6.34
Rot. Bonds12

About dimethyl-(2,3,4,5,6-pentafluorophenyl)-undecoxysilane

dimethyl-(2,3,4,5,6-pentafluorophenyl)-undecoxysilane (PubChem CID 620538) has the molecular formula C19H29F5OSi and a molecular weight of 396.52 g/mol. Its IUPAC name is dimethyl-(2,3,4,5,6-pentafluorophenyl)-undecoxysilane.

Molecular Properties

Compound Namedimethyl-(2,3,4,5,6-pentafluorophenyl)-undecoxysilane
PubChem CID620538
Molecular FormulaC19H29F5OSi
Molecular Weight396.52 g/mol
Exact Mass396.19
IUPAC Namedimethyl-(2,3,4,5,6-pentafluorophenyl)-undecoxysilane
SMILESCCCCCCCCCCCO[Si](C)(C)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C19H29F5OSi/c1-4-5-6-7-8-9-10-11-12-13-25-26(2,3)19-17(23)15(21)14(20)16(22)18(19)24/h4-13H2,1-3H3
InChIKeyAFBVDVFAVBGBQJ-UHFFFAOYSA-N
XLogP6.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.52
LogP ≤ 56.34
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-(2,3,4,5,6-pentafluorophenyl)-undecoxysilane?
The IUPAC name of dimethyl-(2,3,4,5,6-pentafluorophenyl)-undecoxysilane (CID 620538) is dimethyl-(2,3,4,5,6-pentafluorophenyl)-undecoxysilane.
What is the SMILES notation for dimethyl-(2,3,4,5,6-pentafluorophenyl)-undecoxysilane?
The canonical SMILES for dimethyl-(2,3,4,5,6-pentafluorophenyl)-undecoxysilane is CCCCCCCCCCCO[Si](C)(C)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of dimethyl-(2,3,4,5,6-pentafluorophenyl)-undecoxysilane?
The InChIKey is AFBVDVFAVBGBQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29F5OSi/c1-4-5-6-7-8-9-10-11-12-13-25-26(2,3)19-17(23)15(21)14(20)16(22)18(19)24/h4-13H2,1-3H3.
What are the key properties of dimethyl-(2,3,4,5,6-pentafluorophenyl)-undecoxysilane?
dimethyl-(2,3,4,5,6-pentafluorophenyl)-undecoxysilane has a molecular weight of 396.52 g/mol, XLogP of 6.34, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-(2,3,4,5,6-pentafluorophenyl)-undecoxysilane is sourced from PubChem (CID 620538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).