3,3,4,4-tetramethyl-1-prop-2-enylborolane

C11H21B — CID 162772538

IUPAC3,3,4,4-tetramethyl-1-prop-2-enylborolane
SMILESC=CCB1CC(C)(C)C(C)(C)C1
InChIInChI=1S/C11H21B/c1-6-7-12-8-10(2,3)11(4,5)9-12/h6H,1,7-9H2,2-5H3
InChIKeySKGRAMJILNEIOM-UHFFFAOYSA-N
MW164.10 g/mol
LogP3.73
Rot. Bonds2

About 3,3,4,4-tetramethyl-1-prop-2-enylborolane

3,3,4,4-tetramethyl-1-prop-2-enylborolane (PubChem CID 162772538) 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-2-enylborolane.

Molecular Properties

Compound Name3,3,4,4-tetramethyl-1-prop-2-enylborolane
PubChem CID162772538
Molecular FormulaC11H21B
Molecular Weight164.10 g/mol
Exact Mass164.17
IUPAC Name3,3,4,4-tetramethyl-1-prop-2-enylborolane
SMILESC=CCB1CC(C)(C)C(C)(C)C1
InChIInChI=1S/C11H21B/c1-6-7-12-8-10(2,3)11(4,5)9-12/h6H,1,7-9H2,2-5H3
InChIKeySKGRAMJILNEIOM-UHFFFAOYSA-N
XLogP3.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.10
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-But-1-enyl-3,3,4,4-tetramethylborolane
CID 91376659
1-Ethenyl-3,3,4,4-tetramethylborolane
CID 140841218
3,3,4,4-tetramethyl-1-[(E)-pent-1-enyl]borolane
CID 168996952
3,3,4,4-tetramethyl-1-[(3Z)-penta-1,3-dien-3-yl]borolane
CID 173666287
3,3,4,4-Tetramethyl-1-prop-1-en-2-ylborolane
CID 174004864
3,3,4-Trimethyl-1-prop-1-en-2-ylborolane
CID 174303002
2,2,3,3-Tetramethyl-1-prop-2-enylborolane
CID 175434049
1-But-1-en-2-yl-3,3,4,4-tetramethylborolane
CID 177965366
1-Ethenyl-3,3,4,4-tetramethylborolane;propane
CID 177965450
ethane;3,3,4,4-tetramethyl-1-[(E)-pent-1-enyl]borolane
CID 178177224
(2S)-2-tert-butyl-1-prop-2-enylborolane
CID 177696940

Frequently Asked Questions

What is the IUPAC name of 3,3,4,4-tetramethyl-1-prop-2-enylborolane?
The IUPAC name of 3,3,4,4-tetramethyl-1-prop-2-enylborolane (CID 162772538) is 3,3,4,4-tetramethyl-1-prop-2-enylborolane.
What is the SMILES notation for 3,3,4,4-tetramethyl-1-prop-2-enylborolane?
The canonical SMILES for 3,3,4,4-tetramethyl-1-prop-2-enylborolane is C=CCB1CC(C)(C)C(C)(C)C1.
What is the InChIKey of 3,3,4,4-tetramethyl-1-prop-2-enylborolane?
The InChIKey is SKGRAMJILNEIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21B/c1-6-7-12-8-10(2,3)11(4,5)9-12/h6H,1,7-9H2,2-5H3.
What are the key properties of 3,3,4,4-tetramethyl-1-prop-2-enylborolane?
3,3,4,4-tetramethyl-1-prop-2-enylborolane has a molecular weight of 164.10 g/mol, XLogP of 3.73, 2 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-2-enylborolane is sourced from PubChem (CID 162772538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).