tert-butyl-[[6-(1-ethoxyethenyl)cyclohexen-1-yl]methoxy]-dimethylsilane

C17H32O2Si — CID 102475886

IUPACtert-butyl-[[6-(1-ethoxyethenyl)cyclohexen-1-yl]methoxy]-dimethylsilane
SMILESC=C(OCC)C1CCCC=C1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H32O2Si/c1-8-18-14(2)16-12-10-9-11-15(16)13-19-20(6,7)17(3,4)5/h11,16H,2,8-10,12-13H2,1,3-7H3
InChIKeyJVFRDFUXIJFVNU-UHFFFAOYSA-N
MW296.53 g/mol
LogP5.28
Rot. Bonds6

About tert-butyl-[[6-(1-ethoxyethenyl)cyclohexen-1-yl]methoxy]-dimethylsilane

tert-butyl-[[6-(1-ethoxyethenyl)cyclohexen-1-yl]methoxy]-dimethylsilane (PubChem CID 102475886) has the molecular formula C17H32O2Si and a molecular weight of 296.53 g/mol. Its IUPAC name is tert-butyl-[[6-(1-ethoxyethenyl)cyclohexen-1-yl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[6-(1-ethoxyethenyl)cyclohexen-1-yl]methoxy]-dimethylsilane
PubChem CID102475886
Molecular FormulaC17H32O2Si
Molecular Weight296.53 g/mol
Exact Mass296.22
IUPAC Nametert-butyl-[[6-(1-ethoxyethenyl)cyclohexen-1-yl]methoxy]-dimethylsilane
SMILESC=C(OCC)C1CCCC=C1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H32O2Si/c1-8-18-14(2)16-12-10-9-11-15(16)13-19-20(6,7)17(3,4)5/h11,16H,2,8-10,12-13H2,1,3-7H3
InChIKeyJVFRDFUXIJFVNU-UHFFFAOYSA-N
XLogP5.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.53
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

trimethyl-[(3R,5R)-5-methyl-3-[(E)-4-tri(propan-2-yl)silyloxybut-2-en-2-yl]cyclohexen-1-yl]oxysilane
CID 11774244
[(E,1S)-1-cyclohexyl-2-ethylpent-2-enoxy]-triethylsilane
CID 102515909
Tert-butyl-[[6-(1-ethoxyethylidene)cyclohexen-1-yl]methoxy]-dimethylsilane
CID 134974873
tert-butyl-[(E,2R)-1-[(2S,5S,6R)-6-[(2S)-2-methoxypent-4-enyl]-5-methyloxan-2-yl]-6-methylhept-3-en-2-yl]oxy-dimethylsilane
CID 102089060
Tert-butyl-dimethyl-[2-(2-trimethylsilyloxycyclohex-2-en-1-yl)ethoxy]silane
CID 19379284
trimethyl-[(5R)-5-methyl-3-[(E)-4-tri(propan-2-yl)silyloxybut-2-en-2-yl]cyclohexen-1-yl]oxysilane
CID 58601700
tert-butyl-[2-[2-(2,6-dimethylhept-5-enyl)-3,6-dihydro-2H-pyran-6-yl]ethoxy]-dimethylsilane
CID 68706705
trimethyl-[(5R)-5-methyl-3-[4-tri(propan-2-yl)silyloxybut-2-en-2-yl]cyclohexen-1-yl]oxysilane
CID 91379116
1,1,2-Triethoxy-2-ethyl-3-prop-1-enylsilinane
CID 174841200
tert-butyl-[1-[(3R,4S)-4-methoxy-3-(2-methoxyethyl)cyclopenten-1-yl]ethenoxy]-dimethylsilane
CID 10859937
triethyl-[(1R,6R)-3-methyl-6-[1-[(2R,3R)-3-(2-methylpropyl)oxiran-2-yl]ethenyl]cyclohex-2-en-1-yl]oxysilane
CID 11089438
tert-butyl-[2-[(2R,6R)-2-[(2S)-2,4-dimethylpent-4-enyl]-3,6-dihydro-2H-pyran-6-yl]ethoxy]-dimethylsilane
CID 11163570

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[6-(1-ethoxyethenyl)cyclohexen-1-yl]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[6-(1-ethoxyethenyl)cyclohexen-1-yl]methoxy]-dimethylsilane (CID 102475886) is tert-butyl-[[6-(1-ethoxyethenyl)cyclohexen-1-yl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[6-(1-ethoxyethenyl)cyclohexen-1-yl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[6-(1-ethoxyethenyl)cyclohexen-1-yl]methoxy]-dimethylsilane is C=C(OCC)C1CCCC=C1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[[6-(1-ethoxyethenyl)cyclohexen-1-yl]methoxy]-dimethylsilane?
The InChIKey is JVFRDFUXIJFVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O2Si/c1-8-18-14(2)16-12-10-9-11-15(16)13-19-20(6,7)17(3,4)5/h11,16H,2,8-10,12-13H2,1,3-7H3.
What are the key properties of tert-butyl-[[6-(1-ethoxyethenyl)cyclohexen-1-yl]methoxy]-dimethylsilane?
tert-butyl-[[6-(1-ethoxyethenyl)cyclohexen-1-yl]methoxy]-dimethylsilane has a molecular weight of 296.53 g/mol, XLogP of 5.28, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[6-(1-ethoxyethenyl)cyclohexen-1-yl]methoxy]-dimethylsilane is sourced from PubChem (CID 102475886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).