[(3E,5Z,7R)-5-bromo-8-[tert-butyl(dimethyl)silyl]oxy-7-methylocta-3,5-dien-1-ynyl]-trimethylsilane

C18H33BrOSi2 — CID 11475115

IUPAC[(3E,5Z,7R)-5-bromo-8-[tert-butyl(dimethyl)silyl]oxy-7-methylocta-3,5-dien-1-ynyl]-trimethylsilane
SMILESC[C@H](/C=C(Br)/C=C/C#C[Si](C)(C)C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H33BrOSi2/c1-16(15-20-22(8,9)18(2,3)4)14-17(19)12-10-11-13-21(5,6)7/h10,12,14,16H,15H2,1-9H3/b12-10+,17-14-/t16-/m1/s1
InChIKeyFBFRNRKSWAFUQH-TWQCNNRISA-N
MW401.54 g/mol
LogP6.36
Rot. Bonds5

About [(3E,5Z,7R)-5-bromo-8-[tert-butyl(dimethyl)silyl]oxy-7-methylocta-3,5-dien-1-ynyl]-trimethylsilane

[(3E,5Z,7R)-5-bromo-8-[tert-butyl(dimethyl)silyl]oxy-7-methylocta-3,5-dien-1-ynyl]-trimethylsilane (PubChem CID 11475115) has the molecular formula C18H33BrOSi2 and a molecular weight of 401.54 g/mol. Its IUPAC name is [(3E,5Z,7R)-5-bromo-8-[tert-butyl(dimethyl)silyl]oxy-7-methylocta-3,5-dien-1-ynyl]-trimethylsilane.

Molecular Properties

Compound Name[(3E,5Z,7R)-5-bromo-8-[tert-butyl(dimethyl)silyl]oxy-7-methylocta-3,5-dien-1-ynyl]-trimethylsilane
PubChem CID11475115
Molecular FormulaC18H33BrOSi2
Molecular Weight401.54 g/mol
Exact Mass400.13
IUPAC Name[(3E,5Z,7R)-5-bromo-8-[tert-butyl(dimethyl)silyl]oxy-7-methylocta-3,5-dien-1-ynyl]-trimethylsilane
SMILESC[C@H](/C=C(Br)/C=C/C#C[Si](C)(C)C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H33BrOSi2/c1-16(15-20-22(8,9)18(2,3)4)14-17(19)12-10-11-13-21(5,6)7/h10,12,14,16H,15H2,1-9H3/b12-10+,17-14-/t16-/m1/s1
InChIKeyFBFRNRKSWAFUQH-TWQCNNRISA-N
XLogP6.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.54
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

tert-butyl-[(2R,3E,5E)-4-ethenyl-2-methyl-8-trimethylsilylocta-3,5-dien-7-ynoxy]-dimethylsilane
CID 11163885
tert-butyl-dimethyl-[(2S,3E,5E,7E,9E)-2-methyldodeca-3,5,7,9-tetraen-11-ynoxy]silane
CID 11220389
[(2R,3Z,5E)-4-bromo-2-methyldeca-3,5-dienoxy]-tert-butyl-dimethylsilane
CID 11325899
tert-butyl-[(2R,3Z,5E)-4-ethynyl-2-methyl-8-trimethylsilylocta-3,5-dien-7-ynoxy]-dimethylsilane
CID 11336947
[(2R,3Z,5Z)-4-bromo-2-methyldeca-3,5-dienoxy]-tert-butyl-dimethylsilane
CID 12118841
tert-butyl-[(2R,3Z,5E)-2,4-dimethyl-8-trimethylsilylocta-3,5-dien-7-ynoxy]-dimethylsilane
CID 101267042
[(2R,3Z,5E)-4-bromo-2-methyldodeca-3,5-dienoxy]-tert-butyl-dimethylsilane
CID 101267046
[(2R,3Z)-4-bromo-2-methylhexa-3,5-dienoxy]-tert-butyl-dimethylsilane
CID 101267055
[(2R,3Z,5E)-4-bromo-5-ethyl-2-methylocta-3,5-dienoxy]-tert-butyl-dimethylsilane
CID 101267057
tert-butyl-[(2S,3Z,5E,7E,9E)-12-[tert-butyl(dimethyl)silyl]-2-methyldodeca-3,5,7,9-tetraen-11-ynoxy]-dimethylsilane
CID 134939492
tert-butyl-[(2R,3E,5E)-4-ethynyl-2-methyl-8-trimethylsilylocta-3,5-dien-7-ynoxy]-dimethylsilane
CID 134981864
tert-butyl-[(2R,3E,5E)-2,4-dimethyl-8-trimethylsilylocta-3,5-dien-7-ynoxy]-dimethylsilane
CID 134982625

Frequently Asked Questions

What is the IUPAC name of [(3E,5Z,7R)-5-bromo-8-[tert-butyl(dimethyl)silyl]oxy-7-methylocta-3,5-dien-1-ynyl]-trimethylsilane?
The IUPAC name of [(3E,5Z,7R)-5-bromo-8-[tert-butyl(dimethyl)silyl]oxy-7-methylocta-3,5-dien-1-ynyl]-trimethylsilane (CID 11475115) is [(3E,5Z,7R)-5-bromo-8-[tert-butyl(dimethyl)silyl]oxy-7-methylocta-3,5-dien-1-ynyl]-trimethylsilane.
What is the SMILES notation for [(3E,5Z,7R)-5-bromo-8-[tert-butyl(dimethyl)silyl]oxy-7-methylocta-3,5-dien-1-ynyl]-trimethylsilane?
The canonical SMILES for [(3E,5Z,7R)-5-bromo-8-[tert-butyl(dimethyl)silyl]oxy-7-methylocta-3,5-dien-1-ynyl]-trimethylsilane is C[C@H](/C=C(Br)/C=C/C#C[Si](C)(C)C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(3E,5Z,7R)-5-bromo-8-[tert-butyl(dimethyl)silyl]oxy-7-methylocta-3,5-dien-1-ynyl]-trimethylsilane?
The InChIKey is FBFRNRKSWAFUQH-TWQCNNRISA-N. The full InChI is InChI=1S/C18H33BrOSi2/c1-16(15-20-22(8,9)18(2,3)4)14-17(19)12-10-11-13-21(5,6)7/h10,12,14,16H,15H2,1-9H3/b12-10+,17-14-/t16-/m1/s1.
What are the key properties of [(3E,5Z,7R)-5-bromo-8-[tert-butyl(dimethyl)silyl]oxy-7-methylocta-3,5-dien-1-ynyl]-trimethylsilane?
[(3E,5Z,7R)-5-bromo-8-[tert-butyl(dimethyl)silyl]oxy-7-methylocta-3,5-dien-1-ynyl]-trimethylsilane has a molecular weight of 401.54 g/mol, XLogP of 6.36, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E,5Z,7R)-5-bromo-8-[tert-butyl(dimethyl)silyl]oxy-7-methylocta-3,5-dien-1-ynyl]-trimethylsilane is sourced from PubChem (CID 11475115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).