dimethoxy-methyl-[8-(2,3,4,5,6-pentafluorophenyl)octyl]silane

C17H25F5O2Si — CID 90173798

IUPACdimethoxy-methyl-[8-(2,3,4,5,6-pentafluorophenyl)octyl]silane
SMILESCO[Si](C)(CCCCCCCCc1c(F)c(F)c(F)c(F)c1F)OC
InChIInChI=1S/C17H25F5O2Si/c1-23-25(3,24-2)11-9-7-5-4-6-8-10-12-13(18)15(20)17(22)16(21)14(12)19/h4-11H2,1-3H3
InChIKeyWALKHTIZVVNAFO-UHFFFAOYSA-N
MW384.46 g/mol
LogP5.63
Rot. Bonds11

About dimethoxy-methyl-[8-(2,3,4,5,6-pentafluorophenyl)octyl]silane

dimethoxy-methyl-[8-(2,3,4,5,6-pentafluorophenyl)octyl]silane (PubChem CID 90173798) has the molecular formula C17H25F5O2Si and a molecular weight of 384.46 g/mol. Its IUPAC name is dimethoxy-methyl-[8-(2,3,4,5,6-pentafluorophenyl)octyl]silane.

Molecular Properties

Compound Namedimethoxy-methyl-[8-(2,3,4,5,6-pentafluorophenyl)octyl]silane
PubChem CID90173798
Molecular FormulaC17H25F5O2Si
Molecular Weight384.46 g/mol
Exact Mass384.15
IUPAC Namedimethoxy-methyl-[8-(2,3,4,5,6-pentafluorophenyl)octyl]silane
SMILESCO[Si](C)(CCCCCCCCc1c(F)c(F)c(F)c(F)c1F)OC
InChIInChI=1S/C17H25F5O2Si/c1-23-25(3,24-2)11-9-7-5-4-6-8-10-12-13(18)15(20)17(22)16(21)14(12)19/h4-11H2,1-3H3
InChIKeyWALKHTIZVVNAFO-UHFFFAOYSA-N
XLogP5.63
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.46
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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Related Compounds

dimethoxy-methyl-[5-(2,3,4,5,6-pentafluorophenyl)pentyl]silane
CID 90172442
5-[dimethoxy(methyl)silyl]pentyl-dimethoxy-methylsilane
CID 87101351
triethoxy-[7-(2,3,4,5,6-pentafluorophenyl)heptyl]silane
CID 90172549
dimethoxy-methyl-[4-(2,3,4,5-tetrafluorophenyl)butyl]silane
CID 90171977
ethyl-dimethoxy-[3-(2,3,4,5,6-pentafluorophenyl)propyl]silane
CID 90170270
methyl-[3-(2,3,4,5,6-pentafluorophenyl)propyl]-di(propan-2-yloxy)silane
CID 123921118
9-(2,3,4,5,6-pentafluorophenyl)nonyl-tripropoxysilane
CID 90174966
hydroxy-[7-(2,3,4,5,6-pentafluorophenyl)heptyl]-di(propan-2-yl)silane
CID 90171678
tetrakis[4-[dimethoxy(methyl)silyl]butyl]silane
CID 87832670
dimethoxy-methyl-(4-trimethoxysilylbutyl)silane
CID 87101984
6-[dimethoxy(methyl)silyl]hexane-1-thiol
CID 158410124
7-[dimethoxy(methyl)silyl]heptane-1-thiol
CID 151105350

Frequently Asked Questions

What is the IUPAC name of dimethoxy-methyl-[8-(2,3,4,5,6-pentafluorophenyl)octyl]silane?
The IUPAC name of dimethoxy-methyl-[8-(2,3,4,5,6-pentafluorophenyl)octyl]silane (CID 90173798) is dimethoxy-methyl-[8-(2,3,4,5,6-pentafluorophenyl)octyl]silane.
What is the SMILES notation for dimethoxy-methyl-[8-(2,3,4,5,6-pentafluorophenyl)octyl]silane?
The canonical SMILES for dimethoxy-methyl-[8-(2,3,4,5,6-pentafluorophenyl)octyl]silane is CO[Si](C)(CCCCCCCCc1c(F)c(F)c(F)c(F)c1F)OC.
What is the InChIKey of dimethoxy-methyl-[8-(2,3,4,5,6-pentafluorophenyl)octyl]silane?
The InChIKey is WALKHTIZVVNAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F5O2Si/c1-23-25(3,24-2)11-9-7-5-4-6-8-10-12-13(18)15(20)17(22)16(21)14(12)19/h4-11H2,1-3H3.
What are the key properties of dimethoxy-methyl-[8-(2,3,4,5,6-pentafluorophenyl)octyl]silane?
dimethoxy-methyl-[8-(2,3,4,5,6-pentafluorophenyl)octyl]silane has a molecular weight of 384.46 g/mol, XLogP of 5.63, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethoxy-methyl-[8-(2,3,4,5,6-pentafluorophenyl)octyl]silane is sourced from PubChem (CID 90173798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).