1,2,3,5,6-pentamethyl-4H-borinine

C10H17B — CID 174332555

IUPAC1,2,3,5,6-pentamethyl-4H-borinine
SMILESCB1C(C)=C(C)CC(C)=C1C
InChIInChI=1S/C10H17B/c1-7-6-8(2)10(4)11(5)9(7)3/h6H2,1-5H3
InChIKeyXVEIJTIIBGFJKT-UHFFFAOYSA-N
MW148.06 g/mol
LogP3.27
Rot. Bonds

About 1,2,3,5,6-pentamethyl-4H-borinine

1,2,3,5,6-pentamethyl-4H-borinine (PubChem CID 174332555) has the molecular formula C10H17B and a molecular weight of 148.06 g/mol. Its IUPAC name is 1,2,3,5,6-pentamethyl-4H-borinine.

Molecular Properties

Compound Name1,2,3,5,6-pentamethyl-4H-borinine
PubChem CID174332555
Molecular FormulaC10H17B
Molecular Weight148.06 g/mol
Exact Mass148.14
IUPAC Name1,2,3,5,6-pentamethyl-4H-borinine
SMILESCB1C(C)=C(C)CC(C)=C1C
InChIInChI=1S/C10H17B/c1-7-6-8(2)10(4)11(5)9(7)3/h6H2,1-5H3
InChIKeyXVEIJTIIBGFJKT-UHFFFAOYSA-N
XLogP3.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.06
LogP ≤ 53.27
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 1,2,3,5,6-pentamethyl-4H-borinine?
The IUPAC name of 1,2,3,5,6-pentamethyl-4H-borinine (CID 174332555) is 1,2,3,5,6-pentamethyl-4H-borinine.
What is the SMILES notation for 1,2,3,5,6-pentamethyl-4H-borinine?
The canonical SMILES for 1,2,3,5,6-pentamethyl-4H-borinine is CB1C(C)=C(C)CC(C)=C1C.
What is the InChIKey of 1,2,3,5,6-pentamethyl-4H-borinine?
The InChIKey is XVEIJTIIBGFJKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17B/c1-7-6-8(2)10(4)11(5)9(7)3/h6H2,1-5H3.
What are the key properties of 1,2,3,5,6-pentamethyl-4H-borinine?
1,2,3,5,6-pentamethyl-4H-borinine has a molecular weight of 148.06 g/mol, XLogP of 3.27, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,5,6-pentamethyl-4H-borinine is sourced from PubChem (CID 174332555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).