butane;butyl-methyl-(2-methylphenyl)borane

C16H29B — CID 142078381

IUPACbutane;butyl-methyl-(2-methylphenyl)borane
SMILESCCCC.CCCCB(C)c1ccccc1C
InChIInChI=1S/C12H19B.C4H10/c1-4-5-10-13(3)12-9-7-6-8-11(12)2;1-3-4-2/h6-9H,4-5,10H2,1-3H3;3-4H2,1-2H3
InChIKeyLHVCSSSHLVQWKY-UHFFFAOYSA-N
MW232.22 g/mol
LogP4.93
Rot. Bonds5

About butane;butyl-methyl-(2-methylphenyl)borane

butane;butyl-methyl-(2-methylphenyl)borane (PubChem CID 142078381) has the molecular formula C16H29B and a molecular weight of 232.22 g/mol. Its IUPAC name is butane;butyl-methyl-(2-methylphenyl)borane.

Molecular Properties

Compound Namebutane;butyl-methyl-(2-methylphenyl)borane
PubChem CID142078381
Molecular FormulaC16H29B
Molecular Weight232.22 g/mol
Exact Mass232.24
IUPAC Namebutane;butyl-methyl-(2-methylphenyl)borane
SMILESCCCC.CCCCB(C)c1ccccc1C
InChIInChI=1S/C12H19B.C4H10/c1-4-5-10-13(3)12-9-7-6-8-11(12)2;1-3-4-2/h6-9H,4-5,10H2,1-3H3;3-4H2,1-2H3
InChIKeyLHVCSSSHLVQWKY-UHFFFAOYSA-N
XLogP4.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.22
LogP ≤ 54.93
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

dibutyl-(2-butylphenyl)borane
CID 66617339
tetrakis(hexane);tris(1,2-xylene)
CID 173431292
octan-1-ol;1,2-xylene
CID 68579692
benzene;heptane;hexane;toluene
CID 160959480
chloro-bis(2-methylphenyl)borane
CID 12848093
hexane;1,2,3-trimethylbenzene
CID 159405289
bis(heptane);toluene
CID 157306102
2-decoxy-1,3-dimethylbenzene
CID 83057478
tetrabutylazanium;1,2-xylene
CID 69453766
sodium;1-heptadecyl-2-methylbenzene;hydride
CID 173344564
1-methyl-2-pentadecoxybenzene
CID 154641785
dibutylalumanylium;2,6-dimethylphenolate
CID 87730394

Frequently Asked Questions

What is the IUPAC name of butane;butyl-methyl-(2-methylphenyl)borane?
The IUPAC name of butane;butyl-methyl-(2-methylphenyl)borane (CID 142078381) is butane;butyl-methyl-(2-methylphenyl)borane.
What is the SMILES notation for butane;butyl-methyl-(2-methylphenyl)borane?
The canonical SMILES for butane;butyl-methyl-(2-methylphenyl)borane is CCCC.CCCCB(C)c1ccccc1C.
What is the InChIKey of butane;butyl-methyl-(2-methylphenyl)borane?
The InChIKey is LHVCSSSHLVQWKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19B.C4H10/c1-4-5-10-13(3)12-9-7-6-8-11(12)2;1-3-4-2/h6-9H,4-5,10H2,1-3H3;3-4H2,1-2H3.
What are the key properties of butane;butyl-methyl-(2-methylphenyl)borane?
butane;butyl-methyl-(2-methylphenyl)borane has a molecular weight of 232.22 g/mol, XLogP of 4.93, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butane;butyl-methyl-(2-methylphenyl)borane is sourced from PubChem (CID 142078381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).