1,2,3,4,5-pentamethylborole

C9H15B — CID 134862348

IUPAC1,2,3,4,5-pentamethylborole
SMILESCB1C(C)=C(C)C(C)=C1C
InChIInChI=1S/C9H15B/c1-6-7(2)9(4)10(5)8(6)3/h1-5H3
InChIKeyWSIONUGLPCESOQ-UHFFFAOYSA-N
MW134.03 g/mol
LogP2.88
Rot. Bonds

About 1,2,3,4,5-pentamethylborole

1,2,3,4,5-pentamethylborole (PubChem CID 134862348) has the molecular formula C9H15B and a molecular weight of 134.03 g/mol. Its IUPAC name is 1,2,3,4,5-pentamethylborole.

Molecular Properties

Compound Name1,2,3,4,5-pentamethylborole
PubChem CID134862348
Molecular FormulaC9H15B
Molecular Weight134.03 g/mol
Exact Mass134.13
IUPAC Name1,2,3,4,5-pentamethylborole
SMILESCB1C(C)=C(C)C(C)=C1C
InChIInChI=1S/C9H15B/c1-6-7(2)9(4)10(5)8(6)3/h1-5H3
InChIKeyWSIONUGLPCESOQ-UHFFFAOYSA-N
XLogP2.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.03
LogP ≤ 52.88
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 1,2,3,4,5-pentamethylborole?
The IUPAC name of 1,2,3,4,5-pentamethylborole (CID 134862348) is 1,2,3,4,5-pentamethylborole.
What is the SMILES notation for 1,2,3,4,5-pentamethylborole?
The canonical SMILES for 1,2,3,4,5-pentamethylborole is CB1C(C)=C(C)C(C)=C1C.
What is the InChIKey of 1,2,3,4,5-pentamethylborole?
The InChIKey is WSIONUGLPCESOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15B/c1-6-7(2)9(4)10(5)8(6)3/h1-5H3.
What are the key properties of 1,2,3,4,5-pentamethylborole?
1,2,3,4,5-pentamethylborole has a molecular weight of 134.03 g/mol, XLogP of 2.88, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5-pentamethylborole is sourced from PubChem (CID 134862348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).