4,5-diethyl-1,3-dimethyl-2-propan-2-ylidene-1,3-diborole

C12H22B2 — CID 14292377

IUPAC4,5-diethyl-1,3-dimethyl-2-propan-2-ylidene-1,3-diborole
SMILESCCC1=C(CC)B(C)C(=C(C)C)B1C
InChIInChI=1S/C12H22B2/c1-7-10-11(8-2)14(6)12(9(3)4)13(10)5/h7-8H2,1-6H3
InChIKeyWMBHHLCKLBYKSA-UHFFFAOYSA-N
MW187.93 g/mol
LogP3.86
Rot. Bonds2

About 4,5-diethyl-1,3-dimethyl-2-propan-2-ylidene-1,3-diborole

4,5-diethyl-1,3-dimethyl-2-propan-2-ylidene-1,3-diborole (PubChem CID 14292377) has the molecular formula C12H22B2 and a molecular weight of 187.93 g/mol. Its IUPAC name is 4,5-diethyl-1,3-dimethyl-2-propan-2-ylidene-1,3-diborole.

Molecular Properties

Compound Name4,5-diethyl-1,3-dimethyl-2-propan-2-ylidene-1,3-diborole
PubChem CID14292377
Molecular FormulaC12H22B2
Molecular Weight187.93 g/mol
Exact Mass188.19
IUPAC Name4,5-diethyl-1,3-dimethyl-2-propan-2-ylidene-1,3-diborole
SMILESCCC1=C(CC)B(C)C(=C(C)C)B1C
InChIInChI=1S/C12H22B2/c1-7-10-11(8-2)14(6)12(9(3)4)13(10)5/h7-8H2,1-6H3
InChIKeyWMBHHLCKLBYKSA-UHFFFAOYSA-N
XLogP3.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.93
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 4,5-diethyl-1,3-dimethyl-2-propan-2-ylidene-1,3-diborole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Borane, ((1Z)-1-ethyl-2-methyl-1,2-ethenediyl)bis(diethyl-
CID 15733565
1H-1,3-Diborole, 1,3,4,5-tetraethyl-2,3-dihydro-2-methyl-
CID 534721
[(Z)-4-diethylboranylhex-3-en-3-yl]-diethylborane
CID 15733569
Diethyl-(4-ethyl-1,1-dimethyl-2,5-dihydrostannol-3-yl)borane
CID 135048460
Borane, diethyl(1-ethyl-2-methyl-1-butenyl)-, (Z)-
CID 5362753
Borane, (1,2-diethyl-1,2-ethenediyl)bis[diethyl-
CID 5365814
1,3-Dichloro-4,5-diethyl-2-propan-2-ylidene-1,3-diborole
CID 14292374
Diethyl [(e)-1-ethyl-2-methyl-1-butenyl]borane
CID 15152785
2,4-Dimethylpent-2-en-3-yl-di(propan-2-yl)borane
CID 20767005
2,4-Dimethylpent-2-en-3-yl(dimethyl)borane
CID 20775189
CID 58289255
CID 58289255
CID 123249576
CID 123249576

Frequently Asked Questions

What is the IUPAC name of 4,5-diethyl-1,3-dimethyl-2-propan-2-ylidene-1,3-diborole?
The IUPAC name of 4,5-diethyl-1,3-dimethyl-2-propan-2-ylidene-1,3-diborole (CID 14292377) is 4,5-diethyl-1,3-dimethyl-2-propan-2-ylidene-1,3-diborole.
What is the SMILES notation for 4,5-diethyl-1,3-dimethyl-2-propan-2-ylidene-1,3-diborole?
The canonical SMILES for 4,5-diethyl-1,3-dimethyl-2-propan-2-ylidene-1,3-diborole is CCC1=C(CC)B(C)C(=C(C)C)B1C.
What is the InChIKey of 4,5-diethyl-1,3-dimethyl-2-propan-2-ylidene-1,3-diborole?
The InChIKey is WMBHHLCKLBYKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22B2/c1-7-10-11(8-2)14(6)12(9(3)4)13(10)5/h7-8H2,1-6H3.
What are the key properties of 4,5-diethyl-1,3-dimethyl-2-propan-2-ylidene-1,3-diborole?
4,5-diethyl-1,3-dimethyl-2-propan-2-ylidene-1,3-diborole has a molecular weight of 187.93 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diethyl-1,3-dimethyl-2-propan-2-ylidene-1,3-diborole is sourced from PubChem (CID 14292377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).