zinc;5-methylidenecyclohexa-1,3-diene;oxolane;bromide

C11H15BrOZn — CID 160625255

IUPACzinc;5-methylidenecyclohexa-1,3-diene;oxolane;bromide
SMILESC1CCOC1.C=C1C=CC=C[CH-]1.[Br-].[Zn+2]
InChIInChI=1S/C7H7.C4H8O.BrH.Zn/c1-7-5-3-2-4-6-7;1-2-4-5-3-1;;/h2-6H,1H2;1-4H2;1H;/q-1;;;+2/p-1
InChIKeyRHFIHMITVTUUFG-UHFFFAOYSA-M
MW308.53 g/mol
LogP-0.33
Rot. Bonds

About zinc;5-methylidenecyclohexa-1,3-diene;oxolane;bromide

zinc;5-methylidenecyclohexa-1,3-diene;oxolane;bromide (PubChem CID 160625255) has the molecular formula C11H15BrOZn and a molecular weight of 308.53 g/mol. Its IUPAC name is zinc;5-methylidenecyclohexa-1,3-diene;oxolane;bromide.

Molecular Properties

Compound Namezinc;5-methylidenecyclohexa-1,3-diene;oxolane;bromide
PubChem CID160625255
Molecular FormulaC11H15BrOZn
Molecular Weight308.53 g/mol
Exact Mass305.96
IUPAC Namezinc;5-methylidenecyclohexa-1,3-diene;oxolane;bromide
SMILESC1CCOC1.C=C1C=CC=C[CH-]1.[Br-].[Zn+2]
InChIInChI=1S/C7H7.C4H8O.BrH.Zn/c1-7-5-3-2-4-6-7;1-2-4-5-3-1;;/h2-6H,1H2;1-4H2;1H;/q-1;;;+2/p-1
InChIKeyRHFIHMITVTUUFG-UHFFFAOYSA-M
XLogP-0.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.53
LogP ≤ 5-0.33
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 zinc;5-methylidenecyclohexa-1,3-diene;oxolane;bromide?
The IUPAC name of zinc;5-methylidenecyclohexa-1,3-diene;oxolane;bromide (CID 160625255) is zinc;5-methylidenecyclohexa-1,3-diene;oxolane;bromide.
What is the SMILES notation for zinc;5-methylidenecyclohexa-1,3-diene;oxolane;bromide?
The canonical SMILES for zinc;5-methylidenecyclohexa-1,3-diene;oxolane;bromide is C1CCOC1.C=C1C=CC=C[CH-]1.[Br-].[Zn+2].
What is the InChIKey of zinc;5-methylidenecyclohexa-1,3-diene;oxolane;bromide?
The InChIKey is RHFIHMITVTUUFG-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H7.C4H8O.BrH.Zn/c1-7-5-3-2-4-6-7;1-2-4-5-3-1;;/h2-6H,1H2;1-4H2;1H;/q-1;;;+2/p-1.
What are the key properties of zinc;5-methylidenecyclohexa-1,3-diene;oxolane;bromide?
zinc;5-methylidenecyclohexa-1,3-diene;oxolane;bromide has a molecular weight of 308.53 g/mol, XLogP of -0.33, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;5-methylidenecyclohexa-1,3-diene;oxolane;bromide is sourced from PubChem (CID 160625255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).