(1-Tert-butyl-3,3-dimethylbutyl)borane

C10H21B — CID 24972798

IUPAC—
SMILES[B]C(CC(C)(C)C)C(C)(C)C
InChIInChI=1S/C10H21B/c1-9(2,3)7-8(11)10(4,5)6/h8H,7H2,1-6H3
InChIKeyHHLAVXQHICMMFW-UHFFFAOYSA-N
MW152.09 g/mol
LogP3.43
Rot. Bonds1

About (1-Tert-butyl-3,3-dimethylbutyl)borane

(1-Tert-butyl-3,3-dimethylbutyl)borane (PubChem CID 24972798) has the molecular formula C10H21B and a molecular weight of 152.09 g/mol.

Molecular Properties

Compound Name(1-Tert-butyl-3,3-dimethylbutyl)borane
PubChem CID24972798
Molecular FormulaC10H21B
Molecular Weight152.09 g/mol
Exact Mass152.17
IUPAC Name—
SMILES[B]C(CC(C)(C)C)C(C)(C)C
InChIInChI=1S/C10H21B/c1-9(2,3)7-8(11)10(4,5)6/h8H,7H2,1-6H3
InChIKeyHHLAVXQHICMMFW-UHFFFAOYSA-N
XLogP3.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.09
LogP ≤ 53.43
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 (1-Tert-butyl-3,3-dimethylbutyl)borane?
The IUPAC name of (1-Tert-butyl-3,3-dimethylbutyl)borane (CID 24972798) is not available.
What is the SMILES notation for (1-Tert-butyl-3,3-dimethylbutyl)borane?
The canonical SMILES for (1-Tert-butyl-3,3-dimethylbutyl)borane is [B]C(CC(C)(C)C)C(C)(C)C.
What is the InChIKey of (1-Tert-butyl-3,3-dimethylbutyl)borane?
The InChIKey is HHLAVXQHICMMFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21B/c1-9(2,3)7-8(11)10(4,5)6/h8H,7H2,1-6H3.
What are the key properties of (1-Tert-butyl-3,3-dimethylbutyl)borane?
(1-Tert-butyl-3,3-dimethylbutyl)borane has a molecular weight of 152.09 g/mol, XLogP of 3.43, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1-Tert-butyl-3,3-dimethylbutyl)borane is sourced from PubChem (CID 24972798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).