tert-butyl-[2-[(1E,4E,8Z)-cyclodeca-1,4,8-trien-1-yl]ethoxy]-dimethylsilane

C18H32OSi — CID 57333047

IUPACtert-butyl-[2-[(1E,4E,8Z)-cyclodeca-1,4,8-trien-1-yl]ethoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCC/C1=C/C/C=C/CC/C=C\C1
InChIInChI=1S/C18H32OSi/c1-18(2,3)20(4,5)19-16-15-17-13-11-9-7-6-8-10-12-14-17/h7,9-10,12-13H,6,8,11,14-16H2,1-5H3/b9-7+,12-10-,17-13+
InChIKeyXNPWYLSSQURSJW-UVKHGHLYSA-N
MW292.54 g/mol
LogP6.01
Rot. Bonds4

About tert-butyl-[2-[(1E,4E,8Z)-cyclodeca-1,4,8-trien-1-yl]ethoxy]-dimethylsilane

tert-butyl-[2-[(1E,4E,8Z)-cyclodeca-1,4,8-trien-1-yl]ethoxy]-dimethylsilane (PubChem CID 57333047) has the molecular formula C18H32OSi and a molecular weight of 292.54 g/mol. Its IUPAC name is tert-butyl-[2-[(1E,4E,8Z)-cyclodeca-1,4,8-trien-1-yl]ethoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[2-[(1E,4E,8Z)-cyclodeca-1,4,8-trien-1-yl]ethoxy]-dimethylsilane
PubChem CID57333047
Molecular FormulaC18H32OSi
Molecular Weight292.54 g/mol
Exact Mass292.22
IUPAC Nametert-butyl-[2-[(1E,4E,8Z)-cyclodeca-1,4,8-trien-1-yl]ethoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCC/C1=C/C/C=C/CC/C=C\C1
InChIInChI=1S/C18H32OSi/c1-18(2,3)20(4,5)19-16-15-17-13-11-9-7-6-8-10-12-14-17/h7,9-10,12-13H,6,8,11,14-16H2,1-5H3/b9-7+,12-10-,17-13+
InChIKeyXNPWYLSSQURSJW-UVKHGHLYSA-N
XLogP6.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.54
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[(E)-hept-5-enoxy]-dimethylsilane
CID 58815025
(+/-)-Lavandulol, TBDMS derivative
CID 14845988
Silane, dimethyl(non-3-enyloxy)pentyloxy-
CID 91726712
cis-3-Nonen-1-ol, tert-butyldimethylsilyl ether
CID 91732583
(Z)-4-Decen-1-ol, tert-butyldimethylsilyl ether
CID 91734630
tert-butyl-[(2R,3E,5E)-2,4-dimethyldeca-3,5-dienoxy]-dimethylsilane
CID 11208696
[(4Z,6E)-7,11-dimethyldodeca-4,6,10-trienoxy]-tri(propan-2-yl)silane
CID 11279999
[(1E)-7-methylocta-1,6-dienoxy]-tri(propan-2-yl)silane
CID 15633720
tert-butyl-dimethyl-[(3E)-6-methylhepta-3,6-dienoxy]silane
CID 15668717
tert-butyl-dimethyl-[(3E)-3-methylhepta-3,6-dienoxy]silane
CID 15849016
tert-butyl-dimethyl-[(4S)-7-methyl-6-(tributylstannylmethyl)octa-1,6-dien-4-yl]oxysilane
CID 16079530
(E)-tert-Butyldimethyl-(9-(trimethylsilyl)non-5-en-8-ynyloxy)silane
CID 45259157

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-[(1E,4E,8Z)-cyclodeca-1,4,8-trien-1-yl]ethoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[2-[(1E,4E,8Z)-cyclodeca-1,4,8-trien-1-yl]ethoxy]-dimethylsilane (CID 57333047) is tert-butyl-[2-[(1E,4E,8Z)-cyclodeca-1,4,8-trien-1-yl]ethoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[2-[(1E,4E,8Z)-cyclodeca-1,4,8-trien-1-yl]ethoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[2-[(1E,4E,8Z)-cyclodeca-1,4,8-trien-1-yl]ethoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OCC/C1=C/C/C=C/CC/C=C\C1.
What is the InChIKey of tert-butyl-[2-[(1E,4E,8Z)-cyclodeca-1,4,8-trien-1-yl]ethoxy]-dimethylsilane?
The InChIKey is XNPWYLSSQURSJW-UVKHGHLYSA-N. The full InChI is InChI=1S/C18H32OSi/c1-18(2,3)20(4,5)19-16-15-17-13-11-9-7-6-8-10-12-14-17/h7,9-10,12-13H,6,8,11,14-16H2,1-5H3/b9-7+,12-10-,17-13+.
What are the key properties of tert-butyl-[2-[(1E,4E,8Z)-cyclodeca-1,4,8-trien-1-yl]ethoxy]-dimethylsilane?
tert-butyl-[2-[(1E,4E,8Z)-cyclodeca-1,4,8-trien-1-yl]ethoxy]-dimethylsilane has a molecular weight of 292.54 g/mol, XLogP of 6.01, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-[(1E,4E,8Z)-cyclodeca-1,4,8-trien-1-yl]ethoxy]-dimethylsilane is sourced from PubChem (CID 57333047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).