bis(4-fluorocyclohex-3-en-1-yl)methoxy-triethylsilane

C19H32F2OSi — CID 131747137

IUPACbis(4-fluorocyclohex-3-en-1-yl)methoxy-triethylsilane
SMILESCC[Si](CC)(CC)OC(C1CC=C(F)CC1)C1CC=C(F)CC1
InChIInChI=1S/C19H32F2OSi/c1-4-23(5-2,6-3)22-19(15-7-11-17(20)12-8-15)16-9-13-18(21)14-10-16/h11,13,15-16,19H,4-10,12,14H2,1-3H3
InChIKeyFZTQRVYZDMJZSS-UHFFFAOYSA-N
MW342.55 g/mol
LogP6.68
Rot. Bonds7

About bis(4-fluorocyclohex-3-en-1-yl)methoxy-triethylsilane

bis(4-fluorocyclohex-3-en-1-yl)methoxy-triethylsilane (PubChem CID 131747137) has the molecular formula C19H32F2OSi and a molecular weight of 342.55 g/mol. Its IUPAC name is bis(4-fluorocyclohex-3-en-1-yl)methoxy-triethylsilane.

Molecular Properties

Compound Namebis(4-fluorocyclohex-3-en-1-yl)methoxy-triethylsilane
PubChem CID131747137
Molecular FormulaC19H32F2OSi
Molecular Weight342.55 g/mol
Exact Mass342.22
IUPAC Namebis(4-fluorocyclohex-3-en-1-yl)methoxy-triethylsilane
SMILESCC[Si](CC)(CC)OC(C1CC=C(F)CC1)C1CC=C(F)CC1
InChIInChI=1S/C19H32F2OSi/c1-4-23(5-2,6-3)22-19(15-7-11-17(20)12-8-15)16-9-13-18(21)14-10-16/h11,13,15-16,19H,4-10,12,14H2,1-3H3
InChIKeyFZTQRVYZDMJZSS-UHFFFAOYSA-N
XLogP6.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.55
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 59888225
CID 59888225
(Cyclohexyl(4-fluorocyclohex-3-enyl)methoxy)triethylsilane
CID 131747135
tert-butyl-dimethyl-[(3S,4R)-2-methyl-4-(2-methylprop-1-enyl)octan-3-yl]oxysilane
CID 11045214
tert-butyl-dimethyl-[(5S,6R)-6-(2-methylprop-1-enyl)decan-5-yl]oxysilane
CID 11077915
tert-butyl-dimethyl-[(3S,4S)-2-methyl-4-(2-methylprop-1-enyl)octan-3-yl]oxysilane
CID 134979489
tert-butyl-[(E,2S,3S,7S)-3,7-dimethylpentadec-5-en-2-yl]oxy-dimethylsilane
CID 139252725
tert-butyl-dimethyl-[(5S,6S)-6-(2-methylprop-1-enyl)decan-5-yl]oxysilane
CID 139263530
[4-[(E)-pent-3-enyl]cyclohexyl]methyl-[4-(trifluoromethoxy)cyclohexyl]silane
CID 147072606
tert-butyl-[(1S)-1-[(1S)-cyclohex-2-en-1-yl]-2-methylpropoxy]-dimethylsilane
CID 101186809
[(E,3R,4S)-4-methylnon-7-en-3-yl]oxy-tri(propan-2-yl)silane
CID 59558906
(Cyclohex-3-enyl(cyclohexyl)methoxy)triethylsilane
CID 131747136
tert-butyl-[(3S)-5,9-dimethyldec-8-en-3-yl]oxy-dimethylsilane
CID 142634019

Frequently Asked Questions

What is the IUPAC name of bis(4-fluorocyclohex-3-en-1-yl)methoxy-triethylsilane?
The IUPAC name of bis(4-fluorocyclohex-3-en-1-yl)methoxy-triethylsilane (CID 131747137) is bis(4-fluorocyclohex-3-en-1-yl)methoxy-triethylsilane.
What is the SMILES notation for bis(4-fluorocyclohex-3-en-1-yl)methoxy-triethylsilane?
The canonical SMILES for bis(4-fluorocyclohex-3-en-1-yl)methoxy-triethylsilane is CC[Si](CC)(CC)OC(C1CC=C(F)CC1)C1CC=C(F)CC1.
What is the InChIKey of bis(4-fluorocyclohex-3-en-1-yl)methoxy-triethylsilane?
The InChIKey is FZTQRVYZDMJZSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32F2OSi/c1-4-23(5-2,6-3)22-19(15-7-11-17(20)12-8-15)16-9-13-18(21)14-10-16/h11,13,15-16,19H,4-10,12,14H2,1-3H3.
What are the key properties of bis(4-fluorocyclohex-3-en-1-yl)methoxy-triethylsilane?
bis(4-fluorocyclohex-3-en-1-yl)methoxy-triethylsilane has a molecular weight of 342.55 g/mol, XLogP of 6.68, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-fluorocyclohex-3-en-1-yl)methoxy-triethylsilane is sourced from PubChem (CID 131747137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).