bromozinc(1+);3-(methoxymethyl)hept-1-ene

C9H17BrOZn — CID 134897679

IUPACbromozinc(1+);3-(methoxymethyl)hept-1-ene
SMILES[H]/[C-]=C\C(CCCC)COC.[Zn+]Br
InChIInChI=1S/C9H17O.BrH.Zn/c1-4-6-7-9(5-2)8-10-3;;/h2,5,9H,4,6-8H2,1,3H3;1H;/q-1;;+2/p-1
InChIKeyCERIKZZXTWRFHH-UHFFFAOYSA-M
MW286.53 g/mol
LogP3.27
Rot. Bonds6

About bromozinc(1+);3-(methoxymethyl)hept-1-ene

bromozinc(1+);3-(methoxymethyl)hept-1-ene (PubChem CID 134897679) has the molecular formula C9H17BrOZn and a molecular weight of 286.53 g/mol. Its IUPAC name is bromozinc(1+);3-(methoxymethyl)hept-1-ene.

Molecular Properties

Compound Namebromozinc(1+);3-(methoxymethyl)hept-1-ene
PubChem CID134897679
Molecular FormulaC9H17BrOZn
Molecular Weight286.53 g/mol
Exact Mass283.98
IUPAC Namebromozinc(1+);3-(methoxymethyl)hept-1-ene
SMILES[H]/[C-]=C\C(CCCC)COC.[Zn+]Br
InChIInChI=1S/C9H17O.BrH.Zn/c1-4-6-7-9(5-2)8-10-3;;/h2,5,9H,4,6-8H2,1,3H3;1H;/q-1;;+2/p-1
InChIKeyCERIKZZXTWRFHH-UHFFFAOYSA-M
XLogP3.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.53
LogP ≤ 53.27
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'}

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Frequently Asked Questions

What is the IUPAC name of bromozinc(1+);3-(methoxymethyl)hept-1-ene?
The IUPAC name of bromozinc(1+);3-(methoxymethyl)hept-1-ene (CID 134897679) is bromozinc(1+);3-(methoxymethyl)hept-1-ene.
What is the SMILES notation for bromozinc(1+);3-(methoxymethyl)hept-1-ene?
The canonical SMILES for bromozinc(1+);3-(methoxymethyl)hept-1-ene is [H]/[C-]=C\C(CCCC)COC.[Zn+]Br.
What is the InChIKey of bromozinc(1+);3-(methoxymethyl)hept-1-ene?
The InChIKey is CERIKZZXTWRFHH-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H17O.BrH.Zn/c1-4-6-7-9(5-2)8-10-3;;/h2,5,9H,4,6-8H2,1,3H3;1H;/q-1;;+2/p-1.
What are the key properties of bromozinc(1+);3-(methoxymethyl)hept-1-ene?
bromozinc(1+);3-(methoxymethyl)hept-1-ene has a molecular weight of 286.53 g/mol, XLogP of 3.27, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bromozinc(1+);3-(methoxymethyl)hept-1-ene is sourced from PubChem (CID 134897679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).