[(2R,3Z,5E)-4-bromo-5-ethyl-2-methylocta-3,5-dienoxy]-tert-butyl-dimethylsilane

C17H33BrOSi — CID 101267057

IUPAC[(2R,3Z,5E)-4-bromo-5-ethyl-2-methylocta-3,5-dienoxy]-tert-butyl-dimethylsilane
SMILESCC/C=C(CC)/C(Br)=C/[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H33BrOSi/c1-9-11-15(10-2)16(18)12-14(3)13-19-20(7,8)17(4,5)6/h11-12,14H,9-10,13H2,1-8H3/b15-11+,16-12-/t14-/m1/s1
InChIKeyCUURWVUSGAYYRN-BUWKOQFYSA-N
MW361.44 g/mol
LogP6.67
Rot. Bonds7

About [(2R,3Z,5E)-4-bromo-5-ethyl-2-methylocta-3,5-dienoxy]-tert-butyl-dimethylsilane

[(2R,3Z,5E)-4-bromo-5-ethyl-2-methylocta-3,5-dienoxy]-tert-butyl-dimethylsilane (PubChem CID 101267057) has the molecular formula C17H33BrOSi and a molecular weight of 361.44 g/mol. Its IUPAC name is [(2R,3Z,5E)-4-bromo-5-ethyl-2-methylocta-3,5-dienoxy]-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(2R,3Z,5E)-4-bromo-5-ethyl-2-methylocta-3,5-dienoxy]-tert-butyl-dimethylsilane
PubChem CID101267057
Molecular FormulaC17H33BrOSi
Molecular Weight361.44 g/mol
Exact Mass360.15
IUPAC Name[(2R,3Z,5E)-4-bromo-5-ethyl-2-methylocta-3,5-dienoxy]-tert-butyl-dimethylsilane
SMILESCC/C=C(CC)/C(Br)=C/[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H33BrOSi/c1-9-11-15(10-2)16(18)12-14(3)13-19-20(7,8)17(4,5)6/h11-12,14H,9-10,13H2,1-8H3/b15-11+,16-12-/t14-/m1/s1
InChIKeyCUURWVUSGAYYRN-BUWKOQFYSA-N
XLogP6.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.44
LogP ≤ 56.67
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'}

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Related Compounds

tert-butyl-[(2R,3E,5E)-2,4-dimethyldeca-3,5-dienoxy]-dimethylsilane
CID 11208696
[(2R,3Z,5E)-4-bromo-2-methyldeca-3,5-dienoxy]-tert-butyl-dimethylsilane
CID 11325899
[(3E,5Z,7R)-5-bromo-8-[tert-butyl(dimethyl)silyl]oxy-7-methylocta-3,5-dien-1-ynyl]-trimethylsilane
CID 11475115
[(2R,3Z,5Z)-4-bromo-2-methyldeca-3,5-dienoxy]-tert-butyl-dimethylsilane
CID 12118841
tert-butyl-[(2R,3Z)-7,7-dibromo-2,4-dimethylhepta-3,6-dienoxy]-dimethylsilane
CID 24777960
tert-butyl-[(2R,3Z,5E)-2,4-dimethyldeca-3,5-dienoxy]-dimethylsilane
CID 101267045
[(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
tert-butyl-[(2R,3E,5Z)-2,4-dimethyldeca-3,5-dienoxy]-dimethylsilane
CID 101732974
[(2Z)-3-bromo-4-methylpenta-2,4-dienoxy]-tert-butyl-dimethylsilane
CID 101855244
[(2R,3Z)-4-bromo-2,5-dimethylhexa-3,5-dienoxy]-tert-butyl-dimethylsilane
CID 135008495
[(2R,3Z,5E)-4-bromo-2,6-dimethyldeca-3,5-dienoxy]-tert-butyl-dimethylsilane
CID 135008496

Frequently Asked Questions

What is the IUPAC name of [(2R,3Z,5E)-4-bromo-5-ethyl-2-methylocta-3,5-dienoxy]-tert-butyl-dimethylsilane?
The IUPAC name of [(2R,3Z,5E)-4-bromo-5-ethyl-2-methylocta-3,5-dienoxy]-tert-butyl-dimethylsilane (CID 101267057) is [(2R,3Z,5E)-4-bromo-5-ethyl-2-methylocta-3,5-dienoxy]-tert-butyl-dimethylsilane.
What is the SMILES notation for [(2R,3Z,5E)-4-bromo-5-ethyl-2-methylocta-3,5-dienoxy]-tert-butyl-dimethylsilane?
The canonical SMILES for [(2R,3Z,5E)-4-bromo-5-ethyl-2-methylocta-3,5-dienoxy]-tert-butyl-dimethylsilane is CC/C=C(CC)/C(Br)=C/[C@@H](C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(2R,3Z,5E)-4-bromo-5-ethyl-2-methylocta-3,5-dienoxy]-tert-butyl-dimethylsilane?
The InChIKey is CUURWVUSGAYYRN-BUWKOQFYSA-N. The full InChI is InChI=1S/C17H33BrOSi/c1-9-11-15(10-2)16(18)12-14(3)13-19-20(7,8)17(4,5)6/h11-12,14H,9-10,13H2,1-8H3/b15-11+,16-12-/t14-/m1/s1.
What are the key properties of [(2R,3Z,5E)-4-bromo-5-ethyl-2-methylocta-3,5-dienoxy]-tert-butyl-dimethylsilane?
[(2R,3Z,5E)-4-bromo-5-ethyl-2-methylocta-3,5-dienoxy]-tert-butyl-dimethylsilane has a molecular weight of 361.44 g/mol, XLogP of 6.67, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3Z,5E)-4-bromo-5-ethyl-2-methylocta-3,5-dienoxy]-tert-butyl-dimethylsilane is sourced from PubChem (CID 101267057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).