1-but-1-enyl-3,3,4,4-tetramethylborolane

C12H23B — CID 91376659

IUPAC1-but-1-enyl-3,3,4,4-tetramethylborolane
SMILESCCC=CB1CC(C)(C)C(C)(C)C1
InChIInChI=1S/C12H23B/c1-6-7-8-13-9-11(2,3)12(4,5)10-13/h7-8H,6,9-10H2,1-5H3
InChIKeyNJOFOYSXVGGPTK-UHFFFAOYSA-N
MW178.13 g/mol
LogP4.05
Rot. Bonds2

About 1-but-1-enyl-3,3,4,4-tetramethylborolane

1-but-1-enyl-3,3,4,4-tetramethylborolane (PubChem CID 91376659) has the molecular formula C12H23B and a molecular weight of 178.13 g/mol. Its IUPAC name is 1-but-1-enyl-3,3,4,4-tetramethylborolane.

Molecular Properties

Compound Name1-but-1-enyl-3,3,4,4-tetramethylborolane
PubChem CID91376659
Molecular FormulaC12H23B
Molecular Weight178.13 g/mol
Exact Mass178.19
IUPAC Name1-but-1-enyl-3,3,4,4-tetramethylborolane
SMILESCCC=CB1CC(C)(C)C(C)(C)C1
InChIInChI=1S/C12H23B/c1-6-7-8-13-9-11(2,3)12(4,5)10-13/h7-8H,6,9-10H2,1-5H3
InChIKeyNJOFOYSXVGGPTK-UHFFFAOYSA-N
XLogP4.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.13
LogP ≤ 54.05
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-but-1-enyl-3,3,4,4-tetramethylborolane?
The IUPAC name of 1-but-1-enyl-3,3,4,4-tetramethylborolane (CID 91376659) is 1-but-1-enyl-3,3,4,4-tetramethylborolane.
What is the SMILES notation for 1-but-1-enyl-3,3,4,4-tetramethylborolane?
The canonical SMILES for 1-but-1-enyl-3,3,4,4-tetramethylborolane is CCC=CB1CC(C)(C)C(C)(C)C1.
What is the InChIKey of 1-but-1-enyl-3,3,4,4-tetramethylborolane?
The InChIKey is NJOFOYSXVGGPTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23B/c1-6-7-8-13-9-11(2,3)12(4,5)10-13/h7-8H,6,9-10H2,1-5H3.
What are the key properties of 1-but-1-enyl-3,3,4,4-tetramethylborolane?
1-but-1-enyl-3,3,4,4-tetramethylborolane has a molecular weight of 178.13 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-1-enyl-3,3,4,4-tetramethylborolane is sourced from PubChem (CID 91376659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).