1,3,4,5-tetraethyl-2-methyl-2H-1,3-diborole

C12H24B2 — CID 534721

IUPAC1,3,4,5-tetraethyl-2-methyl-2H-1,3-diborole
SMILESCCB1C(CC)=C(CC)B(CC)C1C
InChIInChI=1S/C12H24B2/c1-6-11-12(7-2)14(9-4)10(5)13(11)8-3/h10H,6-9H2,1-5H3
InChIKeyACUQKNQWLMBEDR-UHFFFAOYSA-N
MW189.95 g/mol
LogP4.15
Rot. Bonds4

About 1,3,4,5-tetraethyl-2-methyl-2H-1,3-diborole

1,3,4,5-tetraethyl-2-methyl-2H-1,3-diborole (PubChem CID 534721) has the molecular formula C12H24B2 and a molecular weight of 189.95 g/mol. Its IUPAC name is 1,3,4,5-tetraethyl-2-methyl-2H-1,3-diborole.

Molecular Properties

Compound Name1,3,4,5-tetraethyl-2-methyl-2H-1,3-diborole
PubChem CID534721
Molecular FormulaC12H24B2
Molecular Weight189.95 g/mol
Exact Mass190.21
IUPAC Name1,3,4,5-tetraethyl-2-methyl-2H-1,3-diborole
SMILESCCB1C(CC)=C(CC)B(CC)C1C
InChIInChI=1S/C12H24B2/c1-6-11-12(7-2)14(9-4)10(5)13(11)8-3/h10H,6-9H2,1-5H3
InChIKeyACUQKNQWLMBEDR-UHFFFAOYSA-N
XLogP4.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.95
LogP ≤ 54.15
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 1,3,4,5-tetraethyl-2-methyl-2H-1,3-diborole?
The IUPAC name of 1,3,4,5-tetraethyl-2-methyl-2H-1,3-diborole (CID 534721) is 1,3,4,5-tetraethyl-2-methyl-2H-1,3-diborole.
What is the SMILES notation for 1,3,4,5-tetraethyl-2-methyl-2H-1,3-diborole?
The canonical SMILES for 1,3,4,5-tetraethyl-2-methyl-2H-1,3-diborole is CCB1C(CC)=C(CC)B(CC)C1C.
What is the InChIKey of 1,3,4,5-tetraethyl-2-methyl-2H-1,3-diborole?
The InChIKey is ACUQKNQWLMBEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24B2/c1-6-11-12(7-2)14(9-4)10(5)13(11)8-3/h10H,6-9H2,1-5H3.
What are the key properties of 1,3,4,5-tetraethyl-2-methyl-2H-1,3-diborole?
1,3,4,5-tetraethyl-2-methyl-2H-1,3-diborole has a molecular weight of 189.95 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4,5-tetraethyl-2-methyl-2H-1,3-diborole is sourced from PubChem (CID 534721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).