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

C13H25BrOSi — CID 101267055

IUPAC[(2R,3Z)-4-bromo-2-methylhexa-3,5-dienoxy]-tert-butyl-dimethylsilane
SMILESC=C/C(Br)=C/[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H25BrOSi/c1-8-12(14)9-11(2)10-15-16(6,7)13(3,4)5/h8-9,11H,1,10H2,2-7H3/b12-9-/t11-/m1/s1
InChIKeyQJSPCUGNXLODGN-ZGSOTFDTSA-N
MW305.33 g/mol
LogP5.11
Rot. Bonds5

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

[(2R,3Z)-4-bromo-2-methylhexa-3,5-dienoxy]-tert-butyl-dimethylsilane (PubChem CID 101267055) has the molecular formula C13H25BrOSi and a molecular weight of 305.33 g/mol. Its IUPAC name is [(2R,3Z)-4-bromo-2-methylhexa-3,5-dienoxy]-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(2R,3Z)-4-bromo-2-methylhexa-3,5-dienoxy]-tert-butyl-dimethylsilane
PubChem CID101267055
Molecular FormulaC13H25BrOSi
Molecular Weight305.33 g/mol
Exact Mass304.09
IUPAC Name[(2R,3Z)-4-bromo-2-methylhexa-3,5-dienoxy]-tert-butyl-dimethylsilane
SMILESC=C/C(Br)=C/[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H25BrOSi/c1-8-12(14)9-11(2)10-15-16(6,7)13(3,4)5/h8-9,11H,1,10H2,2-7H3/b12-9-/t11-/m1/s1
InChIKeyQJSPCUGNXLODGN-ZGSOTFDTSA-N
XLogP5.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.33
LogP ≤ 55.11
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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Frequently Asked Questions

What is the IUPAC name of [(2R,3Z)-4-bromo-2-methylhexa-3,5-dienoxy]-tert-butyl-dimethylsilane?
The IUPAC name of [(2R,3Z)-4-bromo-2-methylhexa-3,5-dienoxy]-tert-butyl-dimethylsilane (CID 101267055) is [(2R,3Z)-4-bromo-2-methylhexa-3,5-dienoxy]-tert-butyl-dimethylsilane.
What is the SMILES notation for [(2R,3Z)-4-bromo-2-methylhexa-3,5-dienoxy]-tert-butyl-dimethylsilane?
The canonical SMILES for [(2R,3Z)-4-bromo-2-methylhexa-3,5-dienoxy]-tert-butyl-dimethylsilane is C=C/C(Br)=C/[C@@H](C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(2R,3Z)-4-bromo-2-methylhexa-3,5-dienoxy]-tert-butyl-dimethylsilane?
The InChIKey is QJSPCUGNXLODGN-ZGSOTFDTSA-N. The full InChI is InChI=1S/C13H25BrOSi/c1-8-12(14)9-11(2)10-15-16(6,7)13(3,4)5/h8-9,11H,1,10H2,2-7H3/b12-9-/t11-/m1/s1.
What are the key properties of [(2R,3Z)-4-bromo-2-methylhexa-3,5-dienoxy]-tert-butyl-dimethylsilane?
[(2R,3Z)-4-bromo-2-methylhexa-3,5-dienoxy]-tert-butyl-dimethylsilane has a molecular weight of 305.33 g/mol, XLogP of 5.11, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3Z)-4-bromo-2-methylhexa-3,5-dienoxy]-tert-butyl-dimethylsilane is sourced from PubChem (CID 101267055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).