bromozinc(1+);butoxybenzene

C10H13BrOZn — CID 133144520

IUPACbromozinc(1+);butoxybenzene
SMILESCCCCOc1cc[c-]cc1.[Zn+]Br
InChIInChI=1S/C10H13O.BrH.Zn/c1-2-3-9-11-10-7-5-4-6-8-10;;/h5-8H,2-3,9H2,1H3;1H;/q-1;;+2/p-1
InChIKeyLREULSXKDUMDBW-UHFFFAOYSA-M
MW294.51 g/mol
LogP3.51
Rot. Bonds4

About bromozinc(1+);butoxybenzene

bromozinc(1+);butoxybenzene (PubChem CID 133144520) has the molecular formula C10H13BrOZn and a molecular weight of 294.51 g/mol. Its IUPAC name is bromozinc(1+);butoxybenzene.

Molecular Properties

Compound Namebromozinc(1+);butoxybenzene
PubChem CID133144520
Molecular FormulaC10H13BrOZn
Molecular Weight294.51 g/mol
Exact Mass291.94
IUPAC Namebromozinc(1+);butoxybenzene
SMILESCCCCOc1cc[c-]cc1.[Zn+]Br
InChIInChI=1S/C10H13O.BrH.Zn/c1-2-3-9-11-10-7-5-4-6-8-10;;/h5-8H,2-3,9H2,1H3;1H;/q-1;;+2/p-1
InChIKeyLREULSXKDUMDBW-UHFFFAOYSA-M
XLogP3.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.51
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-hexoxy-N-(4-hexoxyphenyl)-N-phenylaniline;yttrium
CID 140583361
1,4-dipentoxybenzene
CID 18314717
1,4-di(tetradecoxy)benzene
CID 57023723
1,4-di(pentacontoxy)benzene
CID 88721659
trilithium;1,3,5-tris[5-(phenoxy)pentoxy]benzene
CID 177436908
CID 57451037
CID 57451037
1-heptoxy-4-(4-heptoxyphenyl)benzene
CID 53405189
1-hexadecoxy-4-(4-hexadecoxyphenyl)benzene
CID 100970451
1,3,5-tributoxybenzene
CID 15933337
bromozinc(1+);1-methyl-3-propoxybenzene-6-ide
CID 133144688
4-pentoxypyridine
CID 23560340
1-methoxy-4-tetradecoxybenzene
CID 91712423

Frequently Asked Questions

What is the IUPAC name of bromozinc(1+);butoxybenzene?
The IUPAC name of bromozinc(1+);butoxybenzene (CID 133144520) is bromozinc(1+);butoxybenzene.
What is the SMILES notation for bromozinc(1+);butoxybenzene?
The canonical SMILES for bromozinc(1+);butoxybenzene is CCCCOc1cc[c-]cc1.[Zn+]Br.
What is the InChIKey of bromozinc(1+);butoxybenzene?
The InChIKey is LREULSXKDUMDBW-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H13O.BrH.Zn/c1-2-3-9-11-10-7-5-4-6-8-10;;/h5-8H,2-3,9H2,1H3;1H;/q-1;;+2/p-1.
What are the key properties of bromozinc(1+);butoxybenzene?
bromozinc(1+);butoxybenzene has a molecular weight of 294.51 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bromozinc(1+);butoxybenzene is sourced from PubChem (CID 133144520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).