dimethyl(3,4,5-trimethylhexan-2-yl)borane

C11H25B — CID 59733964

IUPACdimethyl(3,4,5-trimethylhexan-2-yl)borane
SMILESCB(C)C(C)C(C)C(C)C(C)C
InChIInChI=1S/C11H25B/c1-8(2)9(3)10(4)11(5)12(6)7/h8-11H,1-7H3
InChIKeyUIVPCYVRWZVHMV-UHFFFAOYSA-N
MW168.13 g/mol
LogP4.06
Rot. Bonds4

About dimethyl(3,4,5-trimethylhexan-2-yl)borane

dimethyl(3,4,5-trimethylhexan-2-yl)borane (PubChem CID 59733964) has the molecular formula C11H25B and a molecular weight of 168.13 g/mol. Its IUPAC name is dimethyl(3,4,5-trimethylhexan-2-yl)borane.

Molecular Properties

Compound Namedimethyl(3,4,5-trimethylhexan-2-yl)borane
PubChem CID59733964
Molecular FormulaC11H25B
Molecular Weight168.13 g/mol
Exact Mass168.20
IUPAC Namedimethyl(3,4,5-trimethylhexan-2-yl)borane
SMILESCB(C)C(C)C(C)C(C)C(C)C
InChIInChI=1S/C11H25B/c1-8(2)9(3)10(4)11(5)12(6)7/h8-11H,1-7H3
InChIKeyUIVPCYVRWZVHMV-UHFFFAOYSA-N
XLogP4.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.13
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethyl(3,4,5-trimethylhexan-2-yl)borane?
The IUPAC name of dimethyl(3,4,5-trimethylhexan-2-yl)borane (CID 59733964) is dimethyl(3,4,5-trimethylhexan-2-yl)borane.
What is the SMILES notation for dimethyl(3,4,5-trimethylhexan-2-yl)borane?
The canonical SMILES for dimethyl(3,4,5-trimethylhexan-2-yl)borane is CB(C)C(C)C(C)C(C)C(C)C.
What is the InChIKey of dimethyl(3,4,5-trimethylhexan-2-yl)borane?
The InChIKey is UIVPCYVRWZVHMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25B/c1-8(2)9(3)10(4)11(5)12(6)7/h8-11H,1-7H3.
What are the key properties of dimethyl(3,4,5-trimethylhexan-2-yl)borane?
dimethyl(3,4,5-trimethylhexan-2-yl)borane has a molecular weight of 168.13 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl(3,4,5-trimethylhexan-2-yl)borane is sourced from PubChem (CID 59733964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).