CID 87096320

C4H7BrMg — CID 87096320

IUPAC—
SMILESC=CCCBr.[Mg]
InChIInChI=1S/C4H7Br.Mg/c1-2-3-4-5;/h2H,1,3-4H2;
InChIKeyUYKXLIXFGKZETA-UHFFFAOYSA-N
MW159.31 g/mol
LogP1.58
Rot. Bonds2

About CID 87096320

CID 87096320 (PubChem CID 87096320) has the molecular formula C4H7BrMg and a molecular weight of 159.31 g/mol.

Molecular Properties

Compound NameCID 87096320
PubChem CID87096320
Molecular FormulaC4H7BrMg
Molecular Weight159.31 g/mol
Exact Mass157.96
IUPAC Name—
SMILESC=CCCBr.[Mg]
InChIInChI=1S/C4H7Br.Mg/c1-2-3-4-5;/h2H,1,3-4H2;
InChIKeyUYKXLIXFGKZETA-UHFFFAOYSA-N
XLogP1.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.31
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 87081975
ethane;pent-1-ene;propane
CID 162735255
1-bromo-9-but-3-enoxynonane
CID 105343299
9-bromo-6,6-dimethylnon-1-ene
CID 170848048
7,9-dibromonon-1-ene
CID 15155894
10-bromo-10,10-dideuteriodec-1-ene
CID 10846609
heptadeca-1,16-diene
CID 6429392

Frequently Asked Questions

What is the IUPAC name of CID 87096320?
The IUPAC name of CID 87096320 (CID 87096320) is not available.
What is the SMILES notation for CID 87096320?
The canonical SMILES for CID 87096320 is C=CCCBr.[Mg].
What is the InChIKey of CID 87096320?
The InChIKey is UYKXLIXFGKZETA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7Br.Mg/c1-2-3-4-5;/h2H,1,3-4H2;.
What are the key properties of CID 87096320?
CID 87096320 has a molecular weight of 159.31 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87096320 is sourced from PubChem (CID 87096320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).