CID 123474410

C6H13B — CID 123474410

IUPAC—
SMILES[B]C(C)(CC)CC
InChIInChI=1S/C6H13B/c1-4-6(3,7)5-2/h4-5H2,1-3H3
InChIKeyWBZZSRGRVZUUEB-UHFFFAOYSA-N
MW95.98 g/mol
LogP2.15
Rot. Bonds2

About CID 123474410

CID 123474410 (PubChem CID 123474410) has the molecular formula C6H13B and a molecular weight of 95.98 g/mol.

Molecular Properties

Compound NameCID 123474410
PubChem CID123474410
Molecular FormulaC6H13B
Molecular Weight95.98 g/mol
Exact Mass96.11
IUPAC Name—
SMILES[B]C(C)(CC)CC
InChIInChI=1S/C6H13B/c1-4-6(3,7)5-2/h4-5H2,1-3H3
InChIKeyWBZZSRGRVZUUEB-UHFFFAOYSA-N
XLogP2.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50095.98
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze CID 123474410 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 142215030
CID 142215030
pentakis(2,2-dimethylbutane);methane
CID 161368616
tetrakis(2,2-dimethylbutane);methane
CID 158609630
bis(2,2-dimethylbutane);tungsten
CID 157126936
bis(2-methylpropan-2-amine);propane
CID 160822364
CID 20601392
CID 20601392
CID 173495309
CID 173495309
CID 173478650
CID 173478650
CID 170749198
CID 170749198
CID 89201913
CID 89201913
CID 145068992
CID 145068992
tetrakis(3,3-dimethylpentane);methane
CID 159658641

Frequently Asked Questions

What is the IUPAC name of CID 123474410?
The IUPAC name of CID 123474410 (CID 123474410) is not available.
What is the SMILES notation for CID 123474410?
The canonical SMILES for CID 123474410 is [B]C(C)(CC)CC.
What is the InChIKey of CID 123474410?
The InChIKey is WBZZSRGRVZUUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13B/c1-4-6(3,7)5-2/h4-5H2,1-3H3.
What are the key properties of CID 123474410?
CID 123474410 has a molecular weight of 95.98 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 123474410 is sourced from PubChem (CID 123474410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).