bis(3-methylbutan-2-yl)-(4-methylpentan-2-yl)borane

C16H35B — CID 86231735

IUPACbis(3-methylbutan-2-yl)-(4-methylpentan-2-yl)borane
SMILESCC(C)CC(C)B(C(C)C(C)C)C(C)C(C)C
InChIInChI=1S/C16H35B/c1-11(2)10-14(7)17(15(8)12(3)4)16(9)13(5)6/h11-16H,10H2,1-9H3
InChIKeySNPLMTXOHCVORQ-UHFFFAOYSA-N
MW238.27 g/mol
LogP6.01
Rot. Bonds7

About bis(3-methylbutan-2-yl)-(4-methylpentan-2-yl)borane

bis(3-methylbutan-2-yl)-(4-methylpentan-2-yl)borane (PubChem CID 86231735) has the molecular formula C16H35B and a molecular weight of 238.27 g/mol. Its IUPAC name is bis(3-methylbutan-2-yl)-(4-methylpentan-2-yl)borane.

Molecular Properties

Compound Namebis(3-methylbutan-2-yl)-(4-methylpentan-2-yl)borane
PubChem CID86231735
Molecular FormulaC16H35B
Molecular Weight238.27 g/mol
Exact Mass238.28
IUPAC Namebis(3-methylbutan-2-yl)-(4-methylpentan-2-yl)borane
SMILESCC(C)CC(C)B(C(C)C(C)C)C(C)C(C)C
InChIInChI=1S/C16H35B/c1-11(2)10-14(7)17(15(8)12(3)4)16(9)13(5)6/h11-16H,10H2,1-9H3
InChIKeySNPLMTXOHCVORQ-UHFFFAOYSA-N
XLogP6.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.27
LogP ≤ 56.01
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

Tris(1,2-dimethylpropyl)borane
CID 122587
Borane, tris(2-methylpentyl)-
CID 10061453
Bis(2-methylpentyl)borane
CID 12437609
Triisoamyl boron
CID 12736075
Hexylbis(3-methylbutan-2-yl)borane
CID 13680388
Tris(2,4,4-trimethylpentyl)borane
CID 13691684
Tris(2-methylbutyl)borane
CID 13691687
Tris(4,4-dimethylpentyl)borane
CID 53970331
Tris(2-methylhexyl)borane
CID 135048352
Borane, [1,2-bis(1-methylethyl)butyl]bis(1-methylethyl)-
CID 534928
CID 101972021
CID 101972021
Bis(3-methylbutan-2-yl)-(2-methylbutyl)borane
CID 13173751

Frequently Asked Questions

What is the IUPAC name of bis(3-methylbutan-2-yl)-(4-methylpentan-2-yl)borane?
The IUPAC name of bis(3-methylbutan-2-yl)-(4-methylpentan-2-yl)borane (CID 86231735) is bis(3-methylbutan-2-yl)-(4-methylpentan-2-yl)borane.
What is the SMILES notation for bis(3-methylbutan-2-yl)-(4-methylpentan-2-yl)borane?
The canonical SMILES for bis(3-methylbutan-2-yl)-(4-methylpentan-2-yl)borane is CC(C)CC(C)B(C(C)C(C)C)C(C)C(C)C.
What is the InChIKey of bis(3-methylbutan-2-yl)-(4-methylpentan-2-yl)borane?
The InChIKey is SNPLMTXOHCVORQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35B/c1-11(2)10-14(7)17(15(8)12(3)4)16(9)13(5)6/h11-16H,10H2,1-9H3.
What are the key properties of bis(3-methylbutan-2-yl)-(4-methylpentan-2-yl)borane?
bis(3-methylbutan-2-yl)-(4-methylpentan-2-yl)borane has a molecular weight of 238.27 g/mol, XLogP of 6.01, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-methylbutan-2-yl)-(4-methylpentan-2-yl)borane is sourced from PubChem (CID 86231735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).