tert-butyl-[2-[(5-fluorocyclohexa-1,4-dien-1-yl)methoxy]ethoxy]-dimethylsilane

C15H27FO2Si — CID 123907743

IUPACtert-butyl-[2-[(5-fluorocyclohexa-1,4-dien-1-yl)methoxy]ethoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCOCC1=CCC=C(F)C1
InChIInChI=1S/C15H27FO2Si/c1-15(2,3)19(4,5)18-10-9-17-12-13-7-6-8-14(16)11-13/h7-8H,6,9-12H2,1-5H3
InChIKeyWQVOSVKKQMVAME-UHFFFAOYSA-N
MW286.46 g/mol
LogP4.60
Rot. Bonds6

About tert-butyl-[2-[(5-fluorocyclohexa-1,4-dien-1-yl)methoxy]ethoxy]-dimethylsilane

tert-butyl-[2-[(5-fluorocyclohexa-1,4-dien-1-yl)methoxy]ethoxy]-dimethylsilane (PubChem CID 123907743) has the molecular formula C15H27FO2Si and a molecular weight of 286.46 g/mol. Its IUPAC name is tert-butyl-[2-[(5-fluorocyclohexa-1,4-dien-1-yl)methoxy]ethoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[2-[(5-fluorocyclohexa-1,4-dien-1-yl)methoxy]ethoxy]-dimethylsilane
PubChem CID123907743
Molecular FormulaC15H27FO2Si
Molecular Weight286.46 g/mol
Exact Mass286.18
IUPAC Nametert-butyl-[2-[(5-fluorocyclohexa-1,4-dien-1-yl)methoxy]ethoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCOCC1=CCC=C(F)C1
InChIInChI=1S/C15H27FO2Si/c1-15(2,3)19(4,5)18-10-9-17-12-13-7-6-8-14(16)11-13/h7-8H,6,9-12H2,1-5H3
InChIKeyWQVOSVKKQMVAME-UHFFFAOYSA-N
XLogP4.60
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[[(2S,5S)-5-ethyl-3-methyl-2,5-dihydrofuran-2-yl]methoxy]-dimethylsilane
CID 154711795
3-(Ethoxymethyl)pent-2-enoxy-trimethylsilane
CID 173407362
tert-butyl-dimethyl-[[(2R)-2-prop-1-en-2-yl-3,6-dihydro-2H-pyran-3-yl]oxy]silane
CID 173852787
tert-butyl-dimethyl-[[(2S,6S)-6-methyl-3,6-dihydro-2H-pyran-2-yl]methoxy]silane
CID 10586275
tert-butyl-dimethyl-[[(2R,6S)-6-methyl-3,6-dihydro-2H-pyran-2-yl]methoxy]silane
CID 10586276
tert-butyl-[(1S)-1-[(2R,6R)-6-ethyl-5-methyl-3,6-dihydro-2H-pyran-2-yl]ethoxy]-dimethylsilane
CID 11507488

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-[(5-fluorocyclohexa-1,4-dien-1-yl)methoxy]ethoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[2-[(5-fluorocyclohexa-1,4-dien-1-yl)methoxy]ethoxy]-dimethylsilane (CID 123907743) is tert-butyl-[2-[(5-fluorocyclohexa-1,4-dien-1-yl)methoxy]ethoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[2-[(5-fluorocyclohexa-1,4-dien-1-yl)methoxy]ethoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[2-[(5-fluorocyclohexa-1,4-dien-1-yl)methoxy]ethoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OCCOCC1=CCC=C(F)C1.
What is the InChIKey of tert-butyl-[2-[(5-fluorocyclohexa-1,4-dien-1-yl)methoxy]ethoxy]-dimethylsilane?
The InChIKey is WQVOSVKKQMVAME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27FO2Si/c1-15(2,3)19(4,5)18-10-9-17-12-13-7-6-8-14(16)11-13/h7-8H,6,9-12H2,1-5H3.
What are the key properties of tert-butyl-[2-[(5-fluorocyclohexa-1,4-dien-1-yl)methoxy]ethoxy]-dimethylsilane?
tert-butyl-[2-[(5-fluorocyclohexa-1,4-dien-1-yl)methoxy]ethoxy]-dimethylsilane has a molecular weight of 286.46 g/mol, XLogP of 4.60, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-[(5-fluorocyclohexa-1,4-dien-1-yl)methoxy]ethoxy]-dimethylsilane is sourced from PubChem (CID 123907743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).