3,3,4,4-tetramethyl-1-prop-1-en-2-ylborolane

C11H21B — CID 174004864

IUPAC3,3,4,4-tetramethyl-1-prop-1-en-2-ylborolane
SMILESC=C(C)B1CC(C)(C)C(C)(C)C1
InChIInChI=1S/C11H21B/c1-9(2)12-7-10(3,4)11(5,6)8-12/h1,7-8H2,2-6H3
InChIKeyQSSQHRXPIMMHNE-UHFFFAOYSA-N
MW164.10 g/mol
LogP3.66
Rot. Bonds1

About 3,3,4,4-tetramethyl-1-prop-1-en-2-ylborolane

3,3,4,4-tetramethyl-1-prop-1-en-2-ylborolane (PubChem CID 174004864) has the molecular formula C11H21B and a molecular weight of 164.10 g/mol. Its IUPAC name is 3,3,4,4-tetramethyl-1-prop-1-en-2-ylborolane.

Molecular Properties

Compound Name3,3,4,4-tetramethyl-1-prop-1-en-2-ylborolane
PubChem CID174004864
Molecular FormulaC11H21B
Molecular Weight164.10 g/mol
Exact Mass164.17
IUPAC Name3,3,4,4-tetramethyl-1-prop-1-en-2-ylborolane
SMILESC=C(C)B1CC(C)(C)C(C)(C)C1
InChIInChI=1S/C11H21B/c1-9(2)12-7-10(3,4)11(5,6)8-12/h1,7-8H2,2-6H3
InChIKeyQSSQHRXPIMMHNE-UHFFFAOYSA-N
XLogP3.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.10
LogP ≤ 53.66
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 3,3,4,4-tetramethyl-1-prop-1-en-2-ylborolane?
The IUPAC name of 3,3,4,4-tetramethyl-1-prop-1-en-2-ylborolane (CID 174004864) is 3,3,4,4-tetramethyl-1-prop-1-en-2-ylborolane.
What is the SMILES notation for 3,3,4,4-tetramethyl-1-prop-1-en-2-ylborolane?
The canonical SMILES for 3,3,4,4-tetramethyl-1-prop-1-en-2-ylborolane is C=C(C)B1CC(C)(C)C(C)(C)C1.
What is the InChIKey of 3,3,4,4-tetramethyl-1-prop-1-en-2-ylborolane?
The InChIKey is QSSQHRXPIMMHNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21B/c1-9(2)12-7-10(3,4)11(5,6)8-12/h1,7-8H2,2-6H3.
What are the key properties of 3,3,4,4-tetramethyl-1-prop-1-en-2-ylborolane?
3,3,4,4-tetramethyl-1-prop-1-en-2-ylborolane has a molecular weight of 164.10 g/mol, XLogP of 3.66, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4-tetramethyl-1-prop-1-en-2-ylborolane is sourced from PubChem (CID 174004864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).