tris(2-methylpentan-3-yl)borane

C18H39B — CID 134896969

IUPACtris(2-methylpentan-3-yl)borane
SMILESCCC(B(C(CC)C(C)C)C(CC)C(C)C)C(C)C
InChIInChI=1S/C18H39B/c1-10-16(13(4)5)19(17(11-2)14(6)7)18(12-3)15(8)9/h13-18H,10-12H2,1-9H3
InChIKeyZSQYGVFXFACROW-UHFFFAOYSA-N
MW266.32 g/mol
LogP6.79
Rot. Bonds9

About tris(2-methylpentan-3-yl)borane

tris(2-methylpentan-3-yl)borane (PubChem CID 134896969) has the molecular formula C18H39B and a molecular weight of 266.32 g/mol. Its IUPAC name is tris(2-methylpentan-3-yl)borane.

Molecular Properties

Compound Nametris(2-methylpentan-3-yl)borane
PubChem CID134896969
Molecular FormulaC18H39B
Molecular Weight266.32 g/mol
Exact Mass266.31
IUPAC Nametris(2-methylpentan-3-yl)borane
SMILESCCC(B(C(CC)C(C)C)C(CC)C(C)C)C(C)C
InChIInChI=1S/C18H39B/c1-10-16(13(4)5)19(17(11-2)14(6)7)18(12-3)15(8)9/h13-18H,10-12H2,1-9H3
InChIKeyZSQYGVFXFACROW-UHFFFAOYSA-N
XLogP6.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.32
LogP ≤ 56.79
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 tris(2-methylpentan-3-yl)borane?
The IUPAC name of tris(2-methylpentan-3-yl)borane (CID 134896969) is tris(2-methylpentan-3-yl)borane.
What is the SMILES notation for tris(2-methylpentan-3-yl)borane?
The canonical SMILES for tris(2-methylpentan-3-yl)borane is CCC(B(C(CC)C(C)C)C(CC)C(C)C)C(C)C.
What is the InChIKey of tris(2-methylpentan-3-yl)borane?
The InChIKey is ZSQYGVFXFACROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39B/c1-10-16(13(4)5)19(17(11-2)14(6)7)18(12-3)15(8)9/h13-18H,10-12H2,1-9H3.
What are the key properties of tris(2-methylpentan-3-yl)borane?
tris(2-methylpentan-3-yl)borane has a molecular weight of 266.32 g/mol, XLogP of 6.79, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-methylpentan-3-yl)borane is sourced from PubChem (CID 134896969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).