[(2E,5S)-7-bromo-5-methylocta-2,7-dienoxy]-tert-butyl-dimethylsilane

C15H29BrOSi — CID 135038344

IUPAC[(2E,5S)-7-bromo-5-methylocta-2,7-dienoxy]-tert-butyl-dimethylsilane
SMILESC=C(Br)C[C@@H](C)C/C=C/CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H29BrOSi/c1-13(12-14(2)16)10-8-9-11-17-18(6,7)15(3,4)5/h8-9,13H,2,10-12H2,1,3-7H3/b9-8+/t13-/m0/s1
InChIKeyXATWBCCSIYQLEI-XEHSLEBBSA-N
MW333.39 g/mol
LogP5.89
Rot. Bonds7

About [(2E,5S)-7-bromo-5-methylocta-2,7-dienoxy]-tert-butyl-dimethylsilane

[(2E,5S)-7-bromo-5-methylocta-2,7-dienoxy]-tert-butyl-dimethylsilane (PubChem CID 135038344) has the molecular formula C15H29BrOSi and a molecular weight of 333.39 g/mol. Its IUPAC name is [(2E,5S)-7-bromo-5-methylocta-2,7-dienoxy]-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(2E,5S)-7-bromo-5-methylocta-2,7-dienoxy]-tert-butyl-dimethylsilane
PubChem CID135038344
Molecular FormulaC15H29BrOSi
Molecular Weight333.39 g/mol
Exact Mass332.12
IUPAC Name[(2E,5S)-7-bromo-5-methylocta-2,7-dienoxy]-tert-butyl-dimethylsilane
SMILESC=C(Br)C[C@@H](C)C/C=C/CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H29BrOSi/c1-13(12-14(2)16)10-8-9-11-17-18(6,7)15(3,4)5/h8-9,13H,2,10-12H2,1,3-7H3/b9-8+/t13-/m0/s1
InChIKeyXATWBCCSIYQLEI-XEHSLEBBSA-N
XLogP5.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.39
LogP ≤ 55.89
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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Frequently Asked Questions

What is the IUPAC name of [(2E,5S)-7-bromo-5-methylocta-2,7-dienoxy]-tert-butyl-dimethylsilane?
The IUPAC name of [(2E,5S)-7-bromo-5-methylocta-2,7-dienoxy]-tert-butyl-dimethylsilane (CID 135038344) is [(2E,5S)-7-bromo-5-methylocta-2,7-dienoxy]-tert-butyl-dimethylsilane.
What is the SMILES notation for [(2E,5S)-7-bromo-5-methylocta-2,7-dienoxy]-tert-butyl-dimethylsilane?
The canonical SMILES for [(2E,5S)-7-bromo-5-methylocta-2,7-dienoxy]-tert-butyl-dimethylsilane is C=C(Br)C[C@@H](C)C/C=C/CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(2E,5S)-7-bromo-5-methylocta-2,7-dienoxy]-tert-butyl-dimethylsilane?
The InChIKey is XATWBCCSIYQLEI-XEHSLEBBSA-N. The full InChI is InChI=1S/C15H29BrOSi/c1-13(12-14(2)16)10-8-9-11-17-18(6,7)15(3,4)5/h8-9,13H,2,10-12H2,1,3-7H3/b9-8+/t13-/m0/s1.
What are the key properties of [(2E,5S)-7-bromo-5-methylocta-2,7-dienoxy]-tert-butyl-dimethylsilane?
[(2E,5S)-7-bromo-5-methylocta-2,7-dienoxy]-tert-butyl-dimethylsilane has a molecular weight of 333.39 g/mol, XLogP of 5.89, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E,5S)-7-bromo-5-methylocta-2,7-dienoxy]-tert-butyl-dimethylsilane is sourced from PubChem (CID 135038344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).