bromozinc(1+);3,3-dimethylbut-1-enoxymethylcyclohexane

C13H23BrOZn — CID 10065873

IUPACbromozinc(1+);3,3-dimethylbut-1-enoxymethylcyclohexane
SMILESCC(C)(C)/C=[C-]/OCC1CCCCC1.[Zn+]Br
InChIInChI=1S/C13H23O.BrH.Zn/c1-13(2,3)9-10-14-11-12-7-5-4-6-8-12;;/h9,12H,4-8,11H2,1-3H3;1H;/q-1;;+2/p-1
InChIKeyFSHXDTUWFWMKNS-UHFFFAOYSA-M
MW340.62 g/mol
LogP4.79
Rot. Bonds3

About bromozinc(1+);3,3-dimethylbut-1-enoxymethylcyclohexane

bromozinc(1+);3,3-dimethylbut-1-enoxymethylcyclohexane (PubChem CID 10065873) has the molecular formula C13H23BrOZn and a molecular weight of 340.62 g/mol. Its IUPAC name is bromozinc(1+);3,3-dimethylbut-1-enoxymethylcyclohexane.

Molecular Properties

Compound Namebromozinc(1+);3,3-dimethylbut-1-enoxymethylcyclohexane
PubChem CID10065873
Molecular FormulaC13H23BrOZn
Molecular Weight340.62 g/mol
Exact Mass338.02
IUPAC Namebromozinc(1+);3,3-dimethylbut-1-enoxymethylcyclohexane
SMILESCC(C)(C)/C=[C-]/OCC1CCCCC1.[Zn+]Br
InChIInChI=1S/C13H23O.BrH.Zn/c1-13(2,3)9-10-14-11-12-7-5-4-6-8-12;;/h9,12H,4-8,11H2,1-3H3;1H;/q-1;;+2/p-1
InChIKeyFSHXDTUWFWMKNS-UHFFFAOYSA-M
XLogP4.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.62
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

[(Z)-1-deuterio-3,3-dimethylbut-1-enoxy]methylcyclohexane
CID 11127223
[(Z)-1-deuterio-3-methylpent-1-enoxy]methylcyclohexane
CID 14970181
tributyl-[(E)-1-(cyclohexylmethoxy)-3,3-dimethylbut-1-enyl]stannane
CID 11005407
[(Z)-1-deuteriohex-1-enoxy]methylcyclohexane
CID 134987913
But-1-enoxymethylcyclohexane
CID 66838092
[(E)-pent-1-enoxy]methylcyclohexane
CID 173272894
Pent-1-enoxymethylcyclohexane
CID 173272895
3,3-Dimethylbut-1-enoxymethylcyclohexane
CID 10065874
Lithium 3,3-dimethylbut-1-enoxymethylcyclohexane
CID 10442844
Lithium 3,3-dimethylbut-1-enoxymethylcyclohexane
CID 23691251
Bromozinc(1+);3,3-dimethylbut-1-enoxymethylcyclohexane
CID 54736516

Frequently Asked Questions

What is the IUPAC name of bromozinc(1+);3,3-dimethylbut-1-enoxymethylcyclohexane?
The IUPAC name of bromozinc(1+);3,3-dimethylbut-1-enoxymethylcyclohexane (CID 10065873) is bromozinc(1+);3,3-dimethylbut-1-enoxymethylcyclohexane.
What is the SMILES notation for bromozinc(1+);3,3-dimethylbut-1-enoxymethylcyclohexane?
The canonical SMILES for bromozinc(1+);3,3-dimethylbut-1-enoxymethylcyclohexane is CC(C)(C)/C=[C-]/OCC1CCCCC1.[Zn+]Br.
What is the InChIKey of bromozinc(1+);3,3-dimethylbut-1-enoxymethylcyclohexane?
The InChIKey is FSHXDTUWFWMKNS-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H23O.BrH.Zn/c1-13(2,3)9-10-14-11-12-7-5-4-6-8-12;;/h9,12H,4-8,11H2,1-3H3;1H;/q-1;;+2/p-1.
What are the key properties of bromozinc(1+);3,3-dimethylbut-1-enoxymethylcyclohexane?
bromozinc(1+);3,3-dimethylbut-1-enoxymethylcyclohexane has a molecular weight of 340.62 g/mol, XLogP of 4.79, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bromozinc(1+);3,3-dimethylbut-1-enoxymethylcyclohexane is sourced from PubChem (CID 10065873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).