2,5-dimethylhexyl-methyl-(2-methylbutyl)borane

C14H31B — CID 123923562

IUPAC2,5-dimethylhexyl-methyl-(2-methylbutyl)borane
SMILESCCC(C)CB(C)CC(C)CCC(C)C
InChIInChI=1S/C14H31B/c1-7-13(4)10-15(6)11-14(5)9-8-12(2)3/h12-14H,7-11H2,1-6H3
InChIKeyFPHYNVMNADDLFN-UHFFFAOYSA-N
MW210.21 g/mol
LogP5.23
Rot. Bonds8

About 2,5-dimethylhexyl-methyl-(2-methylbutyl)borane

2,5-dimethylhexyl-methyl-(2-methylbutyl)borane (PubChem CID 123923562) has the molecular formula C14H31B and a molecular weight of 210.21 g/mol. Its IUPAC name is 2,5-dimethylhexyl-methyl-(2-methylbutyl)borane.

Molecular Properties

Compound Name2,5-dimethylhexyl-methyl-(2-methylbutyl)borane
PubChem CID123923562
Molecular FormulaC14H31B
Molecular Weight210.21 g/mol
Exact Mass210.25
IUPAC Name2,5-dimethylhexyl-methyl-(2-methylbutyl)borane
SMILESCCC(C)CB(C)CC(C)CCC(C)C
InChIInChI=1S/C14H31B/c1-7-13(4)10-15(6)11-14(5)9-8-12(2)3/h12-14H,7-11H2,1-6H3
InChIKeyFPHYNVMNADDLFN-UHFFFAOYSA-N
XLogP5.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500210.21
LogP ≤ 55.23
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

2,5-dimethylheptane;propane
CID 145235091
3-ethyl-2,6,9-trimethyldecane
CID 91256736
ethyl-methyl-(3-methylpentyl)borane
CID 123735325
dichloro(2-methylbutyl)borane
CID 119096300
bis(2,5-dimethylhexyl)phosphane
CID 155095362
2,6,10,14,18,22,26-heptamethyloctacosane
CID 6428605
2,4,7,9-tetramethylundecane
CID 91346710
2,6,10,15,19-pentamethylhenicosane
CID 6428617
ethane;2-methylpropane;propane;2,4,7-trimethyloctane
CID 144533739
magnesium;2,6-dimethyloctane;dibromide
CID 175146229
2,11,23-trimethylpentacosane
CID 123728262
2,5,9,13-tetramethyltetradecane
CID 58292409

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethylhexyl-methyl-(2-methylbutyl)borane?
The IUPAC name of 2,5-dimethylhexyl-methyl-(2-methylbutyl)borane (CID 123923562) is 2,5-dimethylhexyl-methyl-(2-methylbutyl)borane.
What is the SMILES notation for 2,5-dimethylhexyl-methyl-(2-methylbutyl)borane?
The canonical SMILES for 2,5-dimethylhexyl-methyl-(2-methylbutyl)borane is CCC(C)CB(C)CC(C)CCC(C)C.
What is the InChIKey of 2,5-dimethylhexyl-methyl-(2-methylbutyl)borane?
The InChIKey is FPHYNVMNADDLFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31B/c1-7-13(4)10-15(6)11-14(5)9-8-12(2)3/h12-14H,7-11H2,1-6H3.
What are the key properties of 2,5-dimethylhexyl-methyl-(2-methylbutyl)borane?
2,5-dimethylhexyl-methyl-(2-methylbutyl)borane has a molecular weight of 210.21 g/mol, XLogP of 5.23, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethylhexyl-methyl-(2-methylbutyl)borane is sourced from PubChem (CID 123923562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).