bromozinc(1+);tert-butyl-dimethyl-[(2E)-4-methylpenta-2,4-dienoxy]silane

C12H23BrOSiZn — CID 134897038

IUPACbromozinc(1+);tert-butyl-dimethyl-[(2E)-4-methylpenta-2,4-dienoxy]silane
SMILES[H]/[C-]=C(C)\C=C\CO[Si](C)(C)C(C)(C)C.[Zn+]Br
InChIInChI=1S/C12H23OSi.BrH.Zn/c1-11(2)9-8-10-13-14(6,7)12(3,4)5;;/h1,8-9H,10H2,2-7H3;1H;/q-1;;+2/p-1/b9-8+;;
InChIKeyPGVRIFWLXXNRIP-YEUQMBKVSA-M
MW356.70 g/mol
LogP4.79
Rot. Bonds4

About bromozinc(1+);tert-butyl-dimethyl-[(2E)-4-methylpenta-2,4-dienoxy]silane

bromozinc(1+);tert-butyl-dimethyl-[(2E)-4-methylpenta-2,4-dienoxy]silane (PubChem CID 134897038) has the molecular formula C12H23BrOSiZn and a molecular weight of 356.70 g/mol. Its IUPAC name is bromozinc(1+);tert-butyl-dimethyl-[(2E)-4-methylpenta-2,4-dienoxy]silane.

Molecular Properties

Compound Namebromozinc(1+);tert-butyl-dimethyl-[(2E)-4-methylpenta-2,4-dienoxy]silane
PubChem CID134897038
Molecular FormulaC12H23BrOSiZn
Molecular Weight356.70 g/mol
Exact Mass354.00
IUPAC Namebromozinc(1+);tert-butyl-dimethyl-[(2E)-4-methylpenta-2,4-dienoxy]silane
SMILES[H]/[C-]=C(C)\C=C\CO[Si](C)(C)C(C)(C)C.[Zn+]Br
InChIInChI=1S/C12H23OSi.BrH.Zn/c1-11(2)9-8-10-13-14(6,7)12(3,4)5;;/h1,8-9H,10H2,2-7H3;1H;/q-1;;+2/p-1/b9-8+;;
InChIKeyPGVRIFWLXXNRIP-YEUQMBKVSA-M
XLogP4.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.70
LogP ≤ 54.79
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-dimethyl-[(2E)-4-methylpenta-2,4-dienoxy]silane?
The IUPAC name of bromozinc(1+);tert-butyl-dimethyl-[(2E)-4-methylpenta-2,4-dienoxy]silane (CID 134897038) is bromozinc(1+);tert-butyl-dimethyl-[(2E)-4-methylpenta-2,4-dienoxy]silane.
What is the SMILES notation for bromozinc(1+);tert-butyl-dimethyl-[(2E)-4-methylpenta-2,4-dienoxy]silane?
The canonical SMILES for bromozinc(1+);tert-butyl-dimethyl-[(2E)-4-methylpenta-2,4-dienoxy]silane is [H]/[C-]=C(C)\C=C\CO[Si](C)(C)C(C)(C)C.[Zn+]Br.
What is the InChIKey of bromozinc(1+);tert-butyl-dimethyl-[(2E)-4-methylpenta-2,4-dienoxy]silane?
The InChIKey is PGVRIFWLXXNRIP-YEUQMBKVSA-M. The full InChI is InChI=1S/C12H23OSi.BrH.Zn/c1-11(2)9-8-10-13-14(6,7)12(3,4)5;;/h1,8-9H,10H2,2-7H3;1H;/q-1;;+2/p-1/b9-8+;;.
What are the key properties of bromozinc(1+);tert-butyl-dimethyl-[(2E)-4-methylpenta-2,4-dienoxy]silane?
bromozinc(1+);tert-butyl-dimethyl-[(2E)-4-methylpenta-2,4-dienoxy]silane has a molecular weight of 356.70 g/mol, XLogP of 4.79, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bromozinc(1+);tert-butyl-dimethyl-[(2E)-4-methylpenta-2,4-dienoxy]silane is sourced from PubChem (CID 134897038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).