CID 161096255

C4H9BK — CID 161096255

IUPAC—
SMILES[B]CCCC.[K]
InChIInChI=1S/C4H9B.K/c1-2-3-4-5;/h2-4H2,1H3;
InChIKeyUHVIBPUUBJLBGM-UHFFFAOYSA-N
MW107.03 g/mol
LogP0.99
Rot. Bonds2

About CID 161096255

CID 161096255 (PubChem CID 161096255) has the molecular formula C4H9BK and a molecular weight of 107.03 g/mol.

Molecular Properties

Compound NameCID 161096255
PubChem CID161096255
Molecular FormulaC4H9BK
Molecular Weight107.03 g/mol
Exact Mass107.04
IUPAC Name—
SMILES[B]CCCC.[K]
InChIInChI=1S/C4H9B.K/c1-2-3-4-5;/h2-4H2,1H3;
InChIKeyUHVIBPUUBJLBGM-UHFFFAOYSA-N
XLogP0.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.03
LogP ≤ 50.99
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

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butylphosphanium fluoride
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(1,2,3,4,5,6,7,8,9,10,11,12-13C12)dodecane
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Frequently Asked Questions

What is the IUPAC name of CID 161096255?
The IUPAC name of CID 161096255 (CID 161096255) is not available.
What is the SMILES notation for CID 161096255?
The canonical SMILES for CID 161096255 is [B]CCCC.[K].
What is the InChIKey of CID 161096255?
The InChIKey is UHVIBPUUBJLBGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9B.K/c1-2-3-4-5;/h2-4H2,1H3;.
What are the key properties of CID 161096255?
CID 161096255 has a molecular weight of 107.03 g/mol, XLogP of 0.99, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 161096255 is sourced from PubChem (CID 161096255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).