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

C14H19F5OSi — CID 91738895

IUPACdimethyl-(2-methylpentoxy)-(2,3,4,5,6-pentafluorophenyl)silane
SMILESCCCC(C)CO[Si](C)(C)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C14H19F5OSi/c1-5-6-8(2)7-20-21(3,4)14-12(18)10(16)9(15)11(17)13(14)19/h8H,5-7H2,1-4H3
InChIKeyCVGXORVYUQWADW-UHFFFAOYSA-N
MW326.38 g/mol
LogP4.25
Rot. Bonds6

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

dimethyl-(2-methylpentoxy)-(2,3,4,5,6-pentafluorophenyl)silane (PubChem CID 91738895) has the molecular formula C14H19F5OSi and a molecular weight of 326.38 g/mol. Its IUPAC name is dimethyl-(2-methylpentoxy)-(2,3,4,5,6-pentafluorophenyl)silane.

Molecular Properties

Compound Namedimethyl-(2-methylpentoxy)-(2,3,4,5,6-pentafluorophenyl)silane
PubChem CID91738895
Molecular FormulaC14H19F5OSi
Molecular Weight326.38 g/mol
Exact Mass326.11
IUPAC Namedimethyl-(2-methylpentoxy)-(2,3,4,5,6-pentafluorophenyl)silane
SMILESCCCC(C)CO[Si](C)(C)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C14H19F5OSi/c1-5-6-8(2)7-20-21(3,4)14-12(18)10(16)9(15)11(17)13(14)19/h8H,5-7H2,1-4H3
InChIKeyCVGXORVYUQWADW-UHFFFAOYSA-N
XLogP4.25
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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

dimethyl-(2,3,4,5,6-pentafluorophenyl)-tridecan-4-yloxysilane
CID 626690
2-methylpentyl hypofluorite
CID 164530616
4-methylheptane
CID 91413347
4-methylheptane
CID 11512
trimethoxy(4-methylheptyl)silane
CID 23534240
dodecoxy-diethyl-(2-methylpentoxy)silane
CID 91743359
decoxy-diethyl-(2-methylpentoxy)silane
CID 91742310
2-bromo-1-fluoro-4-(2-methylpentoxy)benzene
CID 83233407
2-methylpentyl 2,3-difluoropyridine-4-carboxylate
CID 103285945
trifluoro(2-methylpentoxymethyl)boranuide
CID 103285792
2-methylpentyl carbonofluoridate
CID 175528242
1-(2-methylpentoxy)ethanol
CID 173285010

Frequently Asked Questions

What is the IUPAC name of dimethyl-(2-methylpentoxy)-(2,3,4,5,6-pentafluorophenyl)silane?
The IUPAC name of dimethyl-(2-methylpentoxy)-(2,3,4,5,6-pentafluorophenyl)silane (CID 91738895) is dimethyl-(2-methylpentoxy)-(2,3,4,5,6-pentafluorophenyl)silane.
What is the SMILES notation for dimethyl-(2-methylpentoxy)-(2,3,4,5,6-pentafluorophenyl)silane?
The canonical SMILES for dimethyl-(2-methylpentoxy)-(2,3,4,5,6-pentafluorophenyl)silane is CCCC(C)CO[Si](C)(C)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of dimethyl-(2-methylpentoxy)-(2,3,4,5,6-pentafluorophenyl)silane?
The InChIKey is CVGXORVYUQWADW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F5OSi/c1-5-6-8(2)7-20-21(3,4)14-12(18)10(16)9(15)11(17)13(14)19/h8H,5-7H2,1-4H3.
What are the key properties of dimethyl-(2-methylpentoxy)-(2,3,4,5,6-pentafluorophenyl)silane?
dimethyl-(2-methylpentoxy)-(2,3,4,5,6-pentafluorophenyl)silane has a molecular weight of 326.38 g/mol, XLogP of 4.25, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-(2-methylpentoxy)-(2,3,4,5,6-pentafluorophenyl)silane is sourced from PubChem (CID 91738895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).