(5-bromo-4-methylpenta-2,4-dienoxy)-tert-butyl-dimethylsilane

C12H23BrOSi — CID 76790546

IUPAC(5-bromo-4-methylpenta-2,4-dienoxy)-tert-butyl-dimethylsilane
SMILESCC(C=CCO[Si](C)(C)C(C)(C)C)=CBr
InChIInChI=1S/C12H23BrOSi/c1-11(10-13)8-7-9-14-15(5,6)12(2,3)4/h7-8,10H,9H2,1-6H3
InChIKeyDONNRMVTEVHMRC-UHFFFAOYSA-N
MW291.31 g/mol
LogP4.86
Rot. Bonds4

About (5-bromo-4-methylpenta-2,4-dienoxy)-tert-butyl-dimethylsilane

(5-bromo-4-methylpenta-2,4-dienoxy)-tert-butyl-dimethylsilane (PubChem CID 76790546) has the molecular formula C12H23BrOSi and a molecular weight of 291.31 g/mol. Its IUPAC name is (5-bromo-4-methylpenta-2,4-dienoxy)-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name(5-bromo-4-methylpenta-2,4-dienoxy)-tert-butyl-dimethylsilane
PubChem CID76790546
Molecular FormulaC12H23BrOSi
Molecular Weight291.31 g/mol
Exact Mass290.07
IUPAC Name(5-bromo-4-methylpenta-2,4-dienoxy)-tert-butyl-dimethylsilane
SMILESCC(C=CCO[Si](C)(C)C(C)(C)C)=CBr
InChIInChI=1S/C12H23BrOSi/c1-11(10-13)8-7-9-14-15(5,6)12(2,3)4/h7-8,10H,9H2,1-6H3
InChIKeyDONNRMVTEVHMRC-UHFFFAOYSA-N
XLogP4.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 54.86
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

2,5-Dihydro-2,2-diisopropyl-3-(prop-1-en-2-yl)-1,2-oxasilole
CID 59227484
tert-butyl-dimethyl-[(2E)-2-methylhexa-2,5-dienoxy]silane
CID 15849015
[(3R,4E,6Z)-8-bromoocta-4,6-dien-3-yl]oxy-tert-butyl-dimethylsilane
CID 101492997
tert-butyl-[(2Z)-3-ethenyl-4-methylpenta-2,4-dienoxy]-dimethylsilane
CID 101855242
tert-butyl-[(2E)-3-ethenyl-4-methylpenta-2,4-dienoxy]-dimethylsilane
CID 101855243
[(2Z)-3-bromo-4-methylpenta-2,4-dienoxy]-tert-butyl-dimethylsilane
CID 101855244
bromozinc(1+);tert-butyl-dimethyl-[(2E)-4-methylpenta-2,4-dienoxy]silane
CID 134897038
bromozinc(1+);tert-butyl-[(2E,4E)-4,6-dimethylhepta-2,4,6-trienoxy]-dimethylsilane
CID 134898095
[(2E,4E)-6,6-dimethylhepta-2,4-dienoxy]-ethenyl-dimethylsilane
CID 134900884
[(E)-6-bromo-2-methylidenehex-3-enoxy]-tert-butyl-dimethylsilane
CID 134987961
tert-butyl-[(2S)-4-ethenylhexa-3,5-dien-2-yl]oxy-dimethylsilane
CID 134993571
[(1E,3E,5R,7Z)-1-bromonona-1,3,7-trien-5-yl]oxy-tert-butyl-dimethylsilane
CID 164671391

Frequently Asked Questions

What is the IUPAC name of (5-bromo-4-methylpenta-2,4-dienoxy)-tert-butyl-dimethylsilane?
The IUPAC name of (5-bromo-4-methylpenta-2,4-dienoxy)-tert-butyl-dimethylsilane (CID 76790546) is (5-bromo-4-methylpenta-2,4-dienoxy)-tert-butyl-dimethylsilane.
What is the SMILES notation for (5-bromo-4-methylpenta-2,4-dienoxy)-tert-butyl-dimethylsilane?
The canonical SMILES for (5-bromo-4-methylpenta-2,4-dienoxy)-tert-butyl-dimethylsilane is CC(C=CCO[Si](C)(C)C(C)(C)C)=CBr.
What is the InChIKey of (5-bromo-4-methylpenta-2,4-dienoxy)-tert-butyl-dimethylsilane?
The InChIKey is DONNRMVTEVHMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23BrOSi/c1-11(10-13)8-7-9-14-15(5,6)12(2,3)4/h7-8,10H,9H2,1-6H3.
What are the key properties of (5-bromo-4-methylpenta-2,4-dienoxy)-tert-butyl-dimethylsilane?
(5-bromo-4-methylpenta-2,4-dienoxy)-tert-butyl-dimethylsilane has a molecular weight of 291.31 g/mol, XLogP of 4.86, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-4-methylpenta-2,4-dienoxy)-tert-butyl-dimethylsilane is sourced from PubChem (CID 76790546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).