dibromo-[(Z)-2-bromo-3-methylbut-1-enyl]borane

C5H8BBr3 — CID 102412943

IUPACdibromo-[(Z)-2-bromo-3-methylbut-1-enyl]borane
SMILESCC(C)/C(Br)=C/B(Br)Br
InChIInChI=1S/C5H8BBr3/c1-4(2)5(7)3-6(8)9/h3-4H,1-2H3/b5-3-
InChIKeyQXZFDCFMYWSCLK-HYXAFXHYSA-N
MW318.64 g/mol
LogP3.74
Rot. Bonds2

About dibromo-[(Z)-2-bromo-3-methylbut-1-enyl]borane

dibromo-[(Z)-2-bromo-3-methylbut-1-enyl]borane (PubChem CID 102412943) has the molecular formula C5H8BBr3 and a molecular weight of 318.64 g/mol. Its IUPAC name is dibromo-[(Z)-2-bromo-3-methylbut-1-enyl]borane.

Molecular Properties

Compound Namedibromo-[(Z)-2-bromo-3-methylbut-1-enyl]borane
PubChem CID102412943
Molecular FormulaC5H8BBr3
Molecular Weight318.64 g/mol
Exact Mass315.83
IUPAC Namedibromo-[(Z)-2-bromo-3-methylbut-1-enyl]borane
SMILESCC(C)/C(Br)=C/B(Br)Br
InChIInChI=1S/C5H8BBr3/c1-4(2)5(7)3-6(8)9/h3-4H,1-2H3/b5-3-
InChIKeyQXZFDCFMYWSCLK-HYXAFXHYSA-N
XLogP3.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.64
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(Z)-1,3-dibromo-4-methylpent-2-ene
CID 11064563
(Z)-3,4-dibromo-6-methylhept-2-ene
CID 88780282
cobalt;tetramethylphosphanium
CID 175561525
N,N,2,4-tetramethyl-3-methylidenepent-1-en-1-amine
CID 123516073
bromo(methyl)borinic acid
CID 91047548
(2S,3R)-5,5-dibromo-3-methylpent-4-en-2-ol
CID 88935877
ethane;(Z)-N-(3-methylbut-1-en-2-ylsulfanyl)ethanimine
CID 171660873
(3E,5E)-2,3,6,7-tetramethylocta-3,5-diene
CID 143858492
3-ethylidene-7-methylidene-4-propan-2-yl-2,3a,4,5,6,7a-hexahydro-1H-inden-2-ol
CID 162996192
7-bromo-2,6-dimethylnon-7-en-3-amine
CID 166773454
(2Z,4E)-5-bromo-7-methyl-6-methylideneocta-2,4-diene
CID 172586692
(3E,5E)-4-bromo-6-chloro-7-methylocta-1,3,5-triene
CID 143837532

Frequently Asked Questions

What is the IUPAC name of dibromo-[(Z)-2-bromo-3-methylbut-1-enyl]borane?
The IUPAC name of dibromo-[(Z)-2-bromo-3-methylbut-1-enyl]borane (CID 102412943) is dibromo-[(Z)-2-bromo-3-methylbut-1-enyl]borane.
What is the SMILES notation for dibromo-[(Z)-2-bromo-3-methylbut-1-enyl]borane?
The canonical SMILES for dibromo-[(Z)-2-bromo-3-methylbut-1-enyl]borane is CC(C)/C(Br)=C/B(Br)Br.
What is the InChIKey of dibromo-[(Z)-2-bromo-3-methylbut-1-enyl]borane?
The InChIKey is QXZFDCFMYWSCLK-HYXAFXHYSA-N. The full InChI is InChI=1S/C5H8BBr3/c1-4(2)5(7)3-6(8)9/h3-4H,1-2H3/b5-3-.
What are the key properties of dibromo-[(Z)-2-bromo-3-methylbut-1-enyl]borane?
dibromo-[(Z)-2-bromo-3-methylbut-1-enyl]borane has a molecular weight of 318.64 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dibromo-[(Z)-2-bromo-3-methylbut-1-enyl]borane is sourced from PubChem (CID 102412943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).