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

C10H16B2Cl2 — CID 14292374

IUPAC1,3-dichloro-4,5-diethyl-2-propan-2-ylidene-1,3-diborole
SMILESCCC1=C(CC)B(Cl)C(=C(C)C)B1Cl
InChIInChI=1S/C10H16B2Cl2/c1-5-8-9(6-2)12(14)10(7(3)4)11(8)13/h5-6H2,1-4H3
InChIKeyWYWVLYAFGKYABT-UHFFFAOYSA-N
MW228.77 g/mol
LogP4.07
Rot. Bonds2

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

1,3-dichloro-4,5-diethyl-2-propan-2-ylidene-1,3-diborole (PubChem CID 14292374) has the molecular formula C10H16B2Cl2 and a molecular weight of 228.77 g/mol. Its IUPAC name is 1,3-dichloro-4,5-diethyl-2-propan-2-ylidene-1,3-diborole.

Molecular Properties

Compound Name1,3-dichloro-4,5-diethyl-2-propan-2-ylidene-1,3-diborole
PubChem CID14292374
Molecular FormulaC10H16B2Cl2
Molecular Weight228.77 g/mol
Exact Mass228.08
IUPAC Name1,3-dichloro-4,5-diethyl-2-propan-2-ylidene-1,3-diborole
SMILESCCC1=C(CC)B(Cl)C(=C(C)C)B1Cl
InChIInChI=1S/C10H16B2Cl2/c1-5-8-9(6-2)12(14)10(7(3)4)11(8)13/h5-6H2,1-4H3
InChIKeyWYWVLYAFGKYABT-UHFFFAOYSA-N
XLogP4.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.77
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-Chloro-4,5-diethyl-2,3-dihydro-1h-borole
CID 125480536
4,5-Diethyl-1,3-dimethyl-2-propan-2-ylidene-1,3-diborole
CID 14292377
dichloro-[(Z)-4-dichloroboranyl-2,2,5,5-tetramethylhex-3-en-3-yl]borane
CID 21678464
CID 173497907
CID 173497907
(5-Dimethylboranyl-1,1,2,3,4,5-hexamethylstannol-2-yl)-dimethylborane
CID 12415442
chloro-[(Z)-4-[chloro(methyl)boranyl]hex-3-en-3-yl]-methylborane
CID 101211501

Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-4,5-diethyl-2-propan-2-ylidene-1,3-diborole?
The IUPAC name of 1,3-dichloro-4,5-diethyl-2-propan-2-ylidene-1,3-diborole (CID 14292374) is 1,3-dichloro-4,5-diethyl-2-propan-2-ylidene-1,3-diborole.
What is the SMILES notation for 1,3-dichloro-4,5-diethyl-2-propan-2-ylidene-1,3-diborole?
The canonical SMILES for 1,3-dichloro-4,5-diethyl-2-propan-2-ylidene-1,3-diborole is CCC1=C(CC)B(Cl)C(=C(C)C)B1Cl.
What is the InChIKey of 1,3-dichloro-4,5-diethyl-2-propan-2-ylidene-1,3-diborole?
The InChIKey is WYWVLYAFGKYABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16B2Cl2/c1-5-8-9(6-2)12(14)10(7(3)4)11(8)13/h5-6H2,1-4H3.
What are the key properties of 1,3-dichloro-4,5-diethyl-2-propan-2-ylidene-1,3-diborole?
1,3-dichloro-4,5-diethyl-2-propan-2-ylidene-1,3-diborole has a molecular weight of 228.77 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-4,5-diethyl-2-propan-2-ylidene-1,3-diborole is sourced from PubChem (CID 14292374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).