tri(nonyl)borane

C27H57B — CID 12793706

IUPACtri(nonyl)borane
SMILESCCCCCCCCCB(CCCCCCCCC)CCCCCCCCC
InChIInChI=1S/C27H57B/c1-4-7-10-13-16-19-22-25-28(26-23-20-17-14-11-8-5-2)27-24-21-18-15-12-9-6-3/h4-27H2,1-3H3
InChIKeyDKFQAKVEXALBOR-UHFFFAOYSA-N
MW392.57 g/mol
LogP10.73
Rot. Bonds24

About tri(nonyl)borane

tri(nonyl)borane (PubChem CID 12793706) has the molecular formula C27H57B and a molecular weight of 392.57 g/mol. Its IUPAC name is tri(nonyl)borane.

Molecular Properties

Compound Nametri(nonyl)borane
PubChem CID12793706
Molecular FormulaC27H57B
Molecular Weight392.57 g/mol
Exact Mass392.46
IUPAC Nametri(nonyl)borane
SMILESCCCCCCCCCB(CCCCCCCCC)CCCCCCCCC
InChIInChI=1S/C27H57B/c1-4-7-10-13-16-19-22-25-28(26-23-20-17-14-11-8-5-2)27-24-21-18-15-12-9-6-3/h4-27H2,1-3H3
InChIKeyDKFQAKVEXALBOR-UHFFFAOYSA-N
XLogP10.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds24
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.57
LogP ≤ 510.73
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

tris[(9Z,12Z)-octadeca-9,12-dienyl]borane
CID 140633537
heptyl(dimethyl)borane
CID 123843147
dohexacontane
CID 522644
hexadecane;pentadecane
CID 159687875
dooctacontane
CID 522649
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782
decane;heptane
CID 159049036
henoctacontane
CID 22086342
CID 161246447
CID 161246447
triacontane
CID 12535
dictane
CID 19848341

Frequently Asked Questions

What is the IUPAC name of tri(nonyl)borane?
The IUPAC name of tri(nonyl)borane (CID 12793706) is tri(nonyl)borane.
What is the SMILES notation for tri(nonyl)borane?
The canonical SMILES for tri(nonyl)borane is CCCCCCCCCB(CCCCCCCCC)CCCCCCCCC.
What is the InChIKey of tri(nonyl)borane?
The InChIKey is DKFQAKVEXALBOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H57B/c1-4-7-10-13-16-19-22-25-28(26-23-20-17-14-11-8-5-2)27-24-21-18-15-12-9-6-3/h4-27H2,1-3H3.
What are the key properties of tri(nonyl)borane?
tri(nonyl)borane has a molecular weight of 392.57 g/mol, XLogP of 10.73, 24 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tri(nonyl)borane is sourced from PubChem (CID 12793706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).