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

C19H37BrOSi — CID 101267046

IUPAC[(2R,3Z,5E)-4-bromo-2-methyldodeca-3,5-dienoxy]-tert-butyl-dimethylsilane
SMILESCCCCCC/C=C/C(Br)=C/[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H37BrOSi/c1-8-9-10-11-12-13-14-18(20)15-17(2)16-21-22(6,7)19(3,4)5/h13-15,17H,8-12,16H2,1-7H3/b14-13+,18-15-/t17-/m1/s1
InChIKeyBXRDOQQOGNXHCE-XLRBFZIDSA-N
MW389.49 g/mol
LogP7.45
Rot. Bonds10

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

[(2R,3Z,5E)-4-bromo-2-methyldodeca-3,5-dienoxy]-tert-butyl-dimethylsilane (PubChem CID 101267046) has the molecular formula C19H37BrOSi and a molecular weight of 389.49 g/mol. Its IUPAC name is [(2R,3Z,5E)-4-bromo-2-methyldodeca-3,5-dienoxy]-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(2R,3Z,5E)-4-bromo-2-methyldodeca-3,5-dienoxy]-tert-butyl-dimethylsilane
PubChem CID101267046
Molecular FormulaC19H37BrOSi
Molecular Weight389.49 g/mol
Exact Mass388.18
IUPAC Name[(2R,3Z,5E)-4-bromo-2-methyldodeca-3,5-dienoxy]-tert-butyl-dimethylsilane
SMILESCCCCCC/C=C/C(Br)=C/[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H37BrOSi/c1-8-9-10-11-12-13-14-18(20)15-17(2)16-21-22(6,7)19(3,4)5/h13-15,17H,8-12,16H2,1-7H3/b14-13+,18-15-/t17-/m1/s1
InChIKeyBXRDOQQOGNXHCE-XLRBFZIDSA-N
XLogP7.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.49
LogP ≤ 57.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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,5E)-2,4-dimethyldeca-3,5-dienoxy]-dimethylsilane
CID 101267045
[(2E,4Z)-4-bromoundeca-2,4-dienoxy]-tert-butyl-dimethylsilane
CID 101267050
[(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-[(2R,3E,5Z)-2,4-dimethyldeca-3,5-dienoxy]-dimethylsilane
CID 101732974
tert-butyl-dimethyl-[(E)-2-methylidenedec-3-enoxy]silane
CID 134916503
tert-butyl-[(2S,3Z,5E)-2,4-dimethyldodeca-3,5-dienoxy]-dimethylsilane
CID 134982102
tert-butyl-[(2S,3E,5E)-2,4-dimethyldodeca-3,5-dienoxy]-dimethylsilane
CID 134982103

Frequently Asked Questions

What is the IUPAC name of [(2R,3Z,5E)-4-bromo-2-methyldodeca-3,5-dienoxy]-tert-butyl-dimethylsilane?
The IUPAC name of [(2R,3Z,5E)-4-bromo-2-methyldodeca-3,5-dienoxy]-tert-butyl-dimethylsilane (CID 101267046) is [(2R,3Z,5E)-4-bromo-2-methyldodeca-3,5-dienoxy]-tert-butyl-dimethylsilane.
What is the SMILES notation for [(2R,3Z,5E)-4-bromo-2-methyldodeca-3,5-dienoxy]-tert-butyl-dimethylsilane?
The canonical SMILES for [(2R,3Z,5E)-4-bromo-2-methyldodeca-3,5-dienoxy]-tert-butyl-dimethylsilane is CCCCCC/C=C/C(Br)=C/[C@@H](C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(2R,3Z,5E)-4-bromo-2-methyldodeca-3,5-dienoxy]-tert-butyl-dimethylsilane?
The InChIKey is BXRDOQQOGNXHCE-XLRBFZIDSA-N. The full InChI is InChI=1S/C19H37BrOSi/c1-8-9-10-11-12-13-14-18(20)15-17(2)16-21-22(6,7)19(3,4)5/h13-15,17H,8-12,16H2,1-7H3/b14-13+,18-15-/t17-/m1/s1.
What are the key properties of [(2R,3Z,5E)-4-bromo-2-methyldodeca-3,5-dienoxy]-tert-butyl-dimethylsilane?
[(2R,3Z,5E)-4-bromo-2-methyldodeca-3,5-dienoxy]-tert-butyl-dimethylsilane has a molecular weight of 389.49 g/mol, XLogP of 7.45, 10 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-2-methyldodeca-3,5-dienoxy]-tert-butyl-dimethylsilane is sourced from PubChem (CID 101267046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).