dibutyl-(2-butylphenyl)borane

C18H31B — CID 66617339

IUPACdibutyl-(2-butylphenyl)borane
SMILESCCCCB(CCCC)c1ccccc1CCCC
InChIInChI=1S/C18H31B/c1-4-7-12-17-13-10-11-14-18(17)19(15-8-5-2)16-9-6-3/h10-11,13-14H,4-9,12,15-16H2,1-3H3
InChIKeyUWFSMANZZZJXSD-UHFFFAOYSA-N
MW258.26 g/mol
LogP5.33
Rot. Bonds10

About dibutyl-(2-butylphenyl)borane

dibutyl-(2-butylphenyl)borane (PubChem CID 66617339) has the molecular formula C18H31B and a molecular weight of 258.26 g/mol. Its IUPAC name is dibutyl-(2-butylphenyl)borane.

Molecular Properties

Compound Namedibutyl-(2-butylphenyl)borane
PubChem CID66617339
Molecular FormulaC18H31B
Molecular Weight258.26 g/mol
Exact Mass258.25
IUPAC Namedibutyl-(2-butylphenyl)borane
SMILESCCCCB(CCCC)c1ccccc1CCCC
InChIInChI=1S/C18H31B/c1-4-7-12-17-13-10-11-14-18(17)19(15-8-5-2)16-9-6-3/h10-11,13-14H,4-9,12,15-16H2,1-3H3
InChIKeyUWFSMANZZZJXSD-UHFFFAOYSA-N
XLogP5.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.26
LogP ≤ 55.33
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

CID 159940559
CID 159940559
2-butylbenzenethiol;trihydrofluoride
CID 173024842
azane;1-butyl-2-chlorobenzene
CID 19011342
(2-butylphenyl)-diphenylborane;tetraethylphosphanium
CID 160903362
butane;butyl-methyl-(2-methylphenyl)borane
CID 142078381
1-dodecyl-2-hexylbenzene
CID 19371073
1-nonyl-2-pentylbenzene
CID 54050070
1-hexadecyl-2-pentylbenzene
CID 53438584
1,2-di(nonadecyl)benzene
CID 101289987
1,2-di(undecyl)benzene
CID 3019479
CID 173139810
CID 173139810
1-methyl-2-pentylbenzene
CID 524553

Frequently Asked Questions

What is the IUPAC name of dibutyl-(2-butylphenyl)borane?
The IUPAC name of dibutyl-(2-butylphenyl)borane (CID 66617339) is dibutyl-(2-butylphenyl)borane.
What is the SMILES notation for dibutyl-(2-butylphenyl)borane?
The canonical SMILES for dibutyl-(2-butylphenyl)borane is CCCCB(CCCC)c1ccccc1CCCC.
What is the InChIKey of dibutyl-(2-butylphenyl)borane?
The InChIKey is UWFSMANZZZJXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31B/c1-4-7-12-17-13-10-11-14-18(17)19(15-8-5-2)16-9-6-3/h10-11,13-14H,4-9,12,15-16H2,1-3H3.
What are the key properties of dibutyl-(2-butylphenyl)borane?
dibutyl-(2-butylphenyl)borane has a molecular weight of 258.26 g/mol, XLogP of 5.33, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyl-(2-butylphenyl)borane is sourced from PubChem (CID 66617339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).