2,3-ditert-butyl-1-methylborirene

C11H21B — CID 15567374

IUPAC2,3-ditert-butyl-1-methylborirene
SMILESCB1C(C(C)(C)C)=C1C(C)(C)C
InChIInChI=1S/C11H21B/c1-10(2,3)8-9(12(8)7)11(4,5)6/h1-7H3
InChIKeyRBHGAURKWLJGTQ-UHFFFAOYSA-N
MW164.10 g/mol
LogP3.59
Rot. Bonds

About 2,3-ditert-butyl-1-methylborirene

2,3-ditert-butyl-1-methylborirene (PubChem CID 15567374) has the molecular formula C11H21B and a molecular weight of 164.10 g/mol. Its IUPAC name is 2,3-ditert-butyl-1-methylborirene.

Molecular Properties

Compound Name2,3-ditert-butyl-1-methylborirene
PubChem CID15567374
Molecular FormulaC11H21B
Molecular Weight164.10 g/mol
Exact Mass164.17
IUPAC Name2,3-ditert-butyl-1-methylborirene
SMILESCB1C(C(C)(C)C)=C1C(C)(C)C
InChIInChI=1S/C11H21B/c1-10(2,3)8-9(12(8)7)11(4,5)6/h1-7H3
InChIKeyRBHGAURKWLJGTQ-UHFFFAOYSA-N
XLogP3.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.10
LogP ≤ 53.59
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 2,3-ditert-butyl-1-methylborirene?
The IUPAC name of 2,3-ditert-butyl-1-methylborirene (CID 15567374) is 2,3-ditert-butyl-1-methylborirene.
What is the SMILES notation for 2,3-ditert-butyl-1-methylborirene?
The canonical SMILES for 2,3-ditert-butyl-1-methylborirene is CB1C(C(C)(C)C)=C1C(C)(C)C.
What is the InChIKey of 2,3-ditert-butyl-1-methylborirene?
The InChIKey is RBHGAURKWLJGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21B/c1-10(2,3)8-9(12(8)7)11(4,5)6/h1-7H3.
What are the key properties of 2,3-ditert-butyl-1-methylborirene?
2,3-ditert-butyl-1-methylborirene has a molecular weight of 164.10 g/mol, XLogP of 3.59, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-ditert-butyl-1-methylborirene is sourced from PubChem (CID 15567374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).