Di-pentylborane

C10H22B — CID 13258648

IUPAC—
SMILESCCCCC[B]CCCCC
InChIInChI=1S/C10H22B/c1-3-5-7-9-11-10-8-6-4-2/h3-10H2,1-2H3
InChIKeyLBFXBKRDMYTKFZ-UHFFFAOYSA-N
MW153.10 g/mol
LogP3.91
Rot. Bonds8

About Di-pentylborane

Di-pentylborane (PubChem CID 13258648) has the molecular formula C10H22B and a molecular weight of 153.10 g/mol.

Molecular Properties

Compound NameDi-pentylborane
PubChem CID13258648
Molecular FormulaC10H22B
Molecular Weight153.10 g/mol
Exact Mass153.18
IUPAC Name—
SMILESCCCCC[B]CCCCC
InChIInChI=1S/C10H22B/c1-3-5-7-9-11-10-8-6-4-2/h3-10H2,1-2H3
InChIKeyLBFXBKRDMYTKFZ-UHFFFAOYSA-N
XLogP3.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.10
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

CID 173449434
CID 173449434
CID 173449370
CID 173449370
CID 87182663
CID 87182663
triacontane
CID 12535
dictane
CID 19848341
henoctacontane
CID 22086342
hexane;tetrahydrochloride
CID 18520801
hexane;tetrahydrate
CID 174107213
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782
decane;heptane
CID 159049036
hexane;molybdenum
CID 162092649

Frequently Asked Questions

What is the IUPAC name of Di-pentylborane?
The IUPAC name of Di-pentylborane (CID 13258648) is not available.
What is the SMILES notation for Di-pentylborane?
The canonical SMILES for Di-pentylborane is CCCCC[B]CCCCC.
What is the InChIKey of Di-pentylborane?
The InChIKey is LBFXBKRDMYTKFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22B/c1-3-5-7-9-11-10-8-6-4-2/h3-10H2,1-2H3.
What are the key properties of Di-pentylborane?
Di-pentylborane has a molecular weight of 153.10 g/mol, XLogP of 3.91, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for Di-pentylborane is sourced from PubChem (CID 13258648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).