bromozinc(1+);tert-butyl-[(2E,4E)-4,6-dimethylhepta-2,4,6-trienoxy]-dimethylsilane

C15H27BrOSiZn — CID 134898095

IUPACbromozinc(1+);tert-butyl-[(2E,4E)-4,6-dimethylhepta-2,4,6-trienoxy]-dimethylsilane
SMILES[H]/[C-]=C(C)\C=C(C)\C=C\CO[Si](C)(C)C(C)(C)C.[Zn+]Br
InChIInChI=1S/C15H27OSi.BrH.Zn/c1-13(2)12-14(3)10-9-11-16-17(7,8)15(4,5)6;;/h1,9-10,12H,11H2,2-8H3;1H;/q-1;;+2/p-1/b10-9+,14-12+;;
InChIKeyLFYQWNHHDMLHFM-OHSMBGTOSA-M
MW396.76 g/mol
LogP5.73
Rot. Bonds5

About bromozinc(1+);tert-butyl-[(2E,4E)-4,6-dimethylhepta-2,4,6-trienoxy]-dimethylsilane

bromozinc(1+);tert-butyl-[(2E,4E)-4,6-dimethylhepta-2,4,6-trienoxy]-dimethylsilane (PubChem CID 134898095) has the molecular formula C15H27BrOSiZn and a molecular weight of 396.76 g/mol. Its IUPAC name is bromozinc(1+);tert-butyl-[(2E,4E)-4,6-dimethylhepta-2,4,6-trienoxy]-dimethylsilane.

Molecular Properties

Compound Namebromozinc(1+);tert-butyl-[(2E,4E)-4,6-dimethylhepta-2,4,6-trienoxy]-dimethylsilane
PubChem CID134898095
Molecular FormulaC15H27BrOSiZn
Molecular Weight396.76 g/mol
Exact Mass394.03
IUPAC Namebromozinc(1+);tert-butyl-[(2E,4E)-4,6-dimethylhepta-2,4,6-trienoxy]-dimethylsilane
SMILES[H]/[C-]=C(C)\C=C(C)\C=C\CO[Si](C)(C)C(C)(C)C.[Zn+]Br
InChIInChI=1S/C15H27OSi.BrH.Zn/c1-13(2)12-14(3)10-9-11-16-17(7,8)15(4,5)6;;/h1,9-10,12H,11H2,2-8H3;1H;/q-1;;+2/p-1/b10-9+,14-12+;;
InChIKeyLFYQWNHHDMLHFM-OHSMBGTOSA-M
XLogP5.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.76
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

Trimethyl[[(1E,3E)-2-methylpenta-1,3-dien-1-yl]oxy]silane
CID 10964963
cis-2-Penten-1-ol, tert-butyldimethylsilyl ether
CID 88150799
cis-2-Hexen-1-ol, tert-butyldimethylsilyl ether
CID 91697283
tert-butyl-[(E)-hex-2-enoxy]-dimethylsilane
CID 10987644
tert-butyl-dimethyl-[(E)-pent-2-enoxy]silane
CID 58205919
2,5-Dihydro-2,2-diisopropyl-3-(prop-1-en-2-yl)-1,2-oxasilole
CID 59227484
tert-butyl-dimethyl-[(2E,6E)-6-methylocta-2,6-dienoxy]silane
CID 5387051
tert-butyl-[(2E,4Z,6E)-7-iodo-4,6-dimethylhepta-2,4,6-trienoxy]-dimethylsilane
CID 11625060
Cyclopenta-1,3-dien-1-ylmethoxy(trimethyl)silane
CID 13685458
Tert-butyl-(cyclohexa-1,5-dien-1-ylmethoxy)-dimethylsilane
CID 15587954
tert-butyl-dimethyl-[(2E)-2-methylhexa-2,5-dienoxy]silane
CID 15849015
tert-butyl-[(2E)-2-ethylidenepent-4-enoxy]-dimethylsilane
CID 15849021

Frequently Asked Questions

What is the IUPAC name of bromozinc(1+);tert-butyl-[(2E,4E)-4,6-dimethylhepta-2,4,6-trienoxy]-dimethylsilane?
The IUPAC name of bromozinc(1+);tert-butyl-[(2E,4E)-4,6-dimethylhepta-2,4,6-trienoxy]-dimethylsilane (CID 134898095) is bromozinc(1+);tert-butyl-[(2E,4E)-4,6-dimethylhepta-2,4,6-trienoxy]-dimethylsilane.
What is the SMILES notation for bromozinc(1+);tert-butyl-[(2E,4E)-4,6-dimethylhepta-2,4,6-trienoxy]-dimethylsilane?
The canonical SMILES for bromozinc(1+);tert-butyl-[(2E,4E)-4,6-dimethylhepta-2,4,6-trienoxy]-dimethylsilane is [H]/[C-]=C(C)\C=C(C)\C=C\CO[Si](C)(C)C(C)(C)C.[Zn+]Br.
What is the InChIKey of bromozinc(1+);tert-butyl-[(2E,4E)-4,6-dimethylhepta-2,4,6-trienoxy]-dimethylsilane?
The InChIKey is LFYQWNHHDMLHFM-OHSMBGTOSA-M. The full InChI is InChI=1S/C15H27OSi.BrH.Zn/c1-13(2)12-14(3)10-9-11-16-17(7,8)15(4,5)6;;/h1,9-10,12H,11H2,2-8H3;1H;/q-1;;+2/p-1/b10-9+,14-12+;;.
What are the key properties of bromozinc(1+);tert-butyl-[(2E,4E)-4,6-dimethylhepta-2,4,6-trienoxy]-dimethylsilane?
bromozinc(1+);tert-butyl-[(2E,4E)-4,6-dimethylhepta-2,4,6-trienoxy]-dimethylsilane has a molecular weight of 396.76 g/mol, XLogP of 5.73, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bromozinc(1+);tert-butyl-[(2E,4E)-4,6-dimethylhepta-2,4,6-trienoxy]-dimethylsilane is sourced from PubChem (CID 134898095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).