ditert-butyl-(2,6-dimethylphenyl)borane

C16H27B — CID 164728046

IUPACditert-butyl-(2,6-dimethylphenyl)borane
SMILESCc1cccc(C)c1B(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C16H27B/c1-12-10-9-11-13(2)14(12)17(15(3,4)5)16(6,7)8/h9-11H,1-8H3
InChIKeyNZFKCSNSWAWABB-UHFFFAOYSA-N
MW230.20 g/mol
LogP4.61
Rot. Bonds1

About ditert-butyl-(2,6-dimethylphenyl)borane

ditert-butyl-(2,6-dimethylphenyl)borane (PubChem CID 164728046) has the molecular formula C16H27B and a molecular weight of 230.20 g/mol. Its IUPAC name is ditert-butyl-(2,6-dimethylphenyl)borane.

Molecular Properties

Compound Nameditert-butyl-(2,6-dimethylphenyl)borane
PubChem CID164728046
Molecular FormulaC16H27B
Molecular Weight230.20 g/mol
Exact Mass230.22
IUPAC Nameditert-butyl-(2,6-dimethylphenyl)borane
SMILESCc1cccc(C)c1B(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C16H27B/c1-12-10-9-11-13(2)14(12)17(15(3,4)5)16(6,7)8/h9-11H,1-8H3
InChIKeyNZFKCSNSWAWABB-UHFFFAOYSA-N
XLogP4.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.20
LogP ≤ 54.61
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

(2,6-dimethylphenyl)-dimethylborane
CID 155791463
(2,6-dimethylphenyl)-dimethoxyborane
CID 59583139
chloromethane;2-fluoro-1,3-dimethylbenzene
CID 144572529
potassium 2,6-dimethylphenolate
CID 23686125
1,2-xylene
CID 173422016
N-bis(2,6-dimethylphenyl)boranyl-N-phenylaniline
CID 132542693
benzene;1,2,3-trimethylbenzene
CID 159605245
ethane;1,2,3-trimethylbenzene
CID 54068667
1,5-dimethylnaphthalene
CID 162159355
2-N,3-N-bis(2,6-dimethylphenyl)-2-N,3-N,2,3-tetramethylbutane-2,3-diamine
CID 170108251
1-tert-butyl-2-methylbenzene;N,N-dimethylmethanamine;ethane
CID 157275483
1-tert-butyl-2-(2-tert-butyl-6-methylphenyl)-3-methylbenzene;ethane
CID 157489586

Frequently Asked Questions

What is the IUPAC name of ditert-butyl-(2,6-dimethylphenyl)borane?
The IUPAC name of ditert-butyl-(2,6-dimethylphenyl)borane (CID 164728046) is ditert-butyl-(2,6-dimethylphenyl)borane.
What is the SMILES notation for ditert-butyl-(2,6-dimethylphenyl)borane?
The canonical SMILES for ditert-butyl-(2,6-dimethylphenyl)borane is Cc1cccc(C)c1B(C(C)(C)C)C(C)(C)C.
What is the InChIKey of ditert-butyl-(2,6-dimethylphenyl)borane?
The InChIKey is NZFKCSNSWAWABB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27B/c1-12-10-9-11-13(2)14(12)17(15(3,4)5)16(6,7)8/h9-11H,1-8H3.
What are the key properties of ditert-butyl-(2,6-dimethylphenyl)borane?
ditert-butyl-(2,6-dimethylphenyl)borane has a molecular weight of 230.20 g/mol, XLogP of 4.61, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl-(2,6-dimethylphenyl)borane is sourced from PubChem (CID 164728046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).