CID 14219066

C6H13BBr — CID 14219066

IUPAC—
SMILESCC(C)C(C)(C)[B]Br
InChIInChI=1S/C6H13BBr/c1-5(2)6(3,4)7-8/h5H,1-4H3
InChIKeyWIYYQJLILONQFZ-UHFFFAOYSA-N
MW175.89 g/mol
LogP2.86
Rot. Bonds2

About CID 14219066

CID 14219066 (PubChem CID 14219066) has the molecular formula C6H13BBr and a molecular weight of 175.89 g/mol.

Molecular Properties

Compound NameCID 14219066
PubChem CID14219066
Molecular FormulaC6H13BBr
Molecular Weight175.89 g/mol
Exact Mass175.03
IUPAC Name—
SMILESCC(C)C(C)(C)[B]Br
InChIInChI=1S/C6H13BBr/c1-5(2)6(3,4)7-8/h5H,1-4H3
InChIKeyWIYYQJLILONQFZ-UHFFFAOYSA-N
XLogP2.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.89
LogP ≤ 52.86
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

2,2-dibromo-3-methylbutane
CID 13047634
azane;2-bromo-2,3-dimethylbutane
CID 131989139
2,3-dimethyl(213C)butan-2-ol
CID 100985919
CID 123563572
CID 123563572
2,3-dimethylbutan-2-ylazanium
CID 19594176
CID 140686743
CID 140686743
3-ethylpentane;2,2,3-trimethylbutane
CID 159696459
2,3-dimethylbutan-2-ol;titanium
CID 151633599
3-bromo-2,3-dimethylpentane
CID 54167618
1,2-dibromo-2,3-dimethylbutane
CID 15737638
tert-butyloxidanium
CID 59258481
2,5-dimethyl-3,3,4,4-tetra(propan-2-yl)hexane
CID 86018360

Frequently Asked Questions

What is the IUPAC name of CID 14219066?
The IUPAC name of CID 14219066 (CID 14219066) is not available.
What is the SMILES notation for CID 14219066?
The canonical SMILES for CID 14219066 is CC(C)C(C)(C)[B]Br.
What is the InChIKey of CID 14219066?
The InChIKey is WIYYQJLILONQFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13BBr/c1-5(2)6(3,4)7-8/h5H,1-4H3.
What are the key properties of CID 14219066?
CID 14219066 has a molecular weight of 175.89 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 14219066 is sourced from PubChem (CID 14219066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).