tert-butyl-[(1E,4R,5E)-1-iodo-2,6,10-trimethylundeca-1,5,9-trien-4-yl]oxy-dimethylsilane

C20H37IOSi — CID 135030938

IUPACtert-butyl-[(1E,4R,5E)-1-iodo-2,6,10-trimethylundeca-1,5,9-trien-4-yl]oxy-dimethylsilane
SMILESCC(C)=CCC/C(C)=C/[C@@H](C/C(C)=C/I)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H37IOSi/c1-16(2)11-10-12-17(3)13-19(14-18(4)15-21)22-23(8,9)20(5,6)7/h11,13,15,19H,10,12,14H2,1-9H3/b17-13+,18-15+/t19-/m0/s1
InChIKeyQBOZPKXPQKFGJC-QIWDSASDSA-N
MW448.51 g/mol
LogP7.80
Rot. Bonds8

About tert-butyl-[(1E,4R,5E)-1-iodo-2,6,10-trimethylundeca-1,5,9-trien-4-yl]oxy-dimethylsilane

tert-butyl-[(1E,4R,5E)-1-iodo-2,6,10-trimethylundeca-1,5,9-trien-4-yl]oxy-dimethylsilane (PubChem CID 135030938) has the molecular formula C20H37IOSi and a molecular weight of 448.51 g/mol. Its IUPAC name is tert-butyl-[(1E,4R,5E)-1-iodo-2,6,10-trimethylundeca-1,5,9-trien-4-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1E,4R,5E)-1-iodo-2,6,10-trimethylundeca-1,5,9-trien-4-yl]oxy-dimethylsilane
PubChem CID135030938
Molecular FormulaC20H37IOSi
Molecular Weight448.51 g/mol
Exact Mass448.17
IUPAC Nametert-butyl-[(1E,4R,5E)-1-iodo-2,6,10-trimethylundeca-1,5,9-trien-4-yl]oxy-dimethylsilane
SMILESCC(C)=CCC/C(C)=C/[C@@H](C/C(C)=C/I)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H37IOSi/c1-16(2)11-10-12-17(3)13-19(14-18(4)15-21)22-23(8,9)20(5,6)7/h11,13,15,19H,10,12,14H2,1-9H3/b17-13+,18-15+/t19-/m0/s1
InChIKeyQBOZPKXPQKFGJC-QIWDSASDSA-N
XLogP7.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.51
LogP ≤ 57.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Geraniol, tert-butyldimethylsilyl ether
CID 6536899
Farnesol, tert-butyldimethylsilyl ether
CID 10337114
tert-butyl-[(1S)-3-iodo-4-methylidenecyclopent-2-en-1-yl]oxy-dimethylsilane
CID 134983258
Nerol, tert-butyldimethylsilyl ether
CID 5366885
Geranylgeraniol, TBDMS derivative
CID 11112251
tert-butyl-[(2E,6E)-7-iodo-2,6-dimethylhepta-2,6-dienoxy]-dimethylsilane
CID 10937764
tert-butyl-[(E,3R)-1-iodohex-4-en-3-yl]oxy-dimethylsilane
CID 11035195
[(2E)-3,7-dimethylocta-2,6-dienoxy]-tri(propan-2-yl)silane
CID 11472396
tert-butyl-[(1E,3R,5Z)-1-iodoundeca-1,5-dien-3-yl]oxy-dimethylsilane
CID 13963486
tert-butyl-[(1E,5Z)-1-iodoundeca-1,5-dien-3-yl]oxy-dimethylsilane
CID 21762435
6,10-Dimethylundeca-5,9-dien-4-yloxy(triethyl)silane
CID 73038104
tert-butyl-[(5S,6Z)-7-iodo-2-methylundeca-1,6-dien-5-yl]oxy-dimethylsilane
CID 101050721

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1E,4R,5E)-1-iodo-2,6,10-trimethylundeca-1,5,9-trien-4-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(1E,4R,5E)-1-iodo-2,6,10-trimethylundeca-1,5,9-trien-4-yl]oxy-dimethylsilane (CID 135030938) is tert-butyl-[(1E,4R,5E)-1-iodo-2,6,10-trimethylundeca-1,5,9-trien-4-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1E,4R,5E)-1-iodo-2,6,10-trimethylundeca-1,5,9-trien-4-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(1E,4R,5E)-1-iodo-2,6,10-trimethylundeca-1,5,9-trien-4-yl]oxy-dimethylsilane is CC(C)=CCC/C(C)=C/[C@@H](C/C(C)=C/I)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(1E,4R,5E)-1-iodo-2,6,10-trimethylundeca-1,5,9-trien-4-yl]oxy-dimethylsilane?
The InChIKey is QBOZPKXPQKFGJC-QIWDSASDSA-N. The full InChI is InChI=1S/C20H37IOSi/c1-16(2)11-10-12-17(3)13-19(14-18(4)15-21)22-23(8,9)20(5,6)7/h11,13,15,19H,10,12,14H2,1-9H3/b17-13+,18-15+/t19-/m0/s1.
What are the key properties of tert-butyl-[(1E,4R,5E)-1-iodo-2,6,10-trimethylundeca-1,5,9-trien-4-yl]oxy-dimethylsilane?
tert-butyl-[(1E,4R,5E)-1-iodo-2,6,10-trimethylundeca-1,5,9-trien-4-yl]oxy-dimethylsilane has a molecular weight of 448.51 g/mol, XLogP of 7.80, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1E,4R,5E)-1-iodo-2,6,10-trimethylundeca-1,5,9-trien-4-yl]oxy-dimethylsilane is sourced from PubChem (CID 135030938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).