bis(3-methylbutan-2-yl)-(2-methylpentyl)borane

C16H35B — CID 86231740

IUPACbis(3-methylbutan-2-yl)-(2-methylpentyl)borane
SMILESCCCC(C)CB(C(C)C(C)C)C(C)C(C)C
InChIInChI=1S/C16H35B/c1-9-10-14(6)11-17(15(7)12(2)3)16(8)13(4)5/h12-16H,9-11H2,1-8H3
InChIKeySEWDATAVGAWRSC-UHFFFAOYSA-N
MW238.27 g/mol
LogP6.01
Rot. Bonds8

About bis(3-methylbutan-2-yl)-(2-methylpentyl)borane

bis(3-methylbutan-2-yl)-(2-methylpentyl)borane (PubChem CID 86231740) has the molecular formula C16H35B and a molecular weight of 238.27 g/mol. Its IUPAC name is bis(3-methylbutan-2-yl)-(2-methylpentyl)borane.

Molecular Properties

Compound Namebis(3-methylbutan-2-yl)-(2-methylpentyl)borane
PubChem CID86231740
Molecular FormulaC16H35B
Molecular Weight238.27 g/mol
Exact Mass238.28
IUPAC Namebis(3-methylbutan-2-yl)-(2-methylpentyl)borane
SMILESCCCC(C)CB(C(C)C(C)C)C(C)C(C)C
InChIInChI=1S/C16H35B/c1-9-10-14(6)11-17(15(7)12(2)3)16(8)13(4)5/h12-16H,9-11H2,1-8H3
InChIKeySEWDATAVGAWRSC-UHFFFAOYSA-N
XLogP6.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
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)-(2-methylpentyl)borane?
The IUPAC name of bis(3-methylbutan-2-yl)-(2-methylpentyl)borane (CID 86231740) is bis(3-methylbutan-2-yl)-(2-methylpentyl)borane.
What is the SMILES notation for bis(3-methylbutan-2-yl)-(2-methylpentyl)borane?
The canonical SMILES for bis(3-methylbutan-2-yl)-(2-methylpentyl)borane is CCCC(C)CB(C(C)C(C)C)C(C)C(C)C.
What is the InChIKey of bis(3-methylbutan-2-yl)-(2-methylpentyl)borane?
The InChIKey is SEWDATAVGAWRSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35B/c1-9-10-14(6)11-17(15(7)12(2)3)16(8)13(4)5/h12-16H,9-11H2,1-8H3.
What are the key properties of bis(3-methylbutan-2-yl)-(2-methylpentyl)borane?
bis(3-methylbutan-2-yl)-(2-methylpentyl)borane has a molecular weight of 238.27 g/mol, XLogP of 6.01, 8 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)-(2-methylpentyl)borane is sourced from PubChem (CID 86231740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).