1,2,2,3,4-pentamethyl-1-oxonia-2-boranuidacyclopent-3-ene

C8H17BO — CID 134903588

IUPAC1,2,2,3,4-pentamethyl-1-oxonia-2-boranuidacyclopent-3-ene
SMILESCC1=C(C)[B-](C)(C)[O+](C)C1
InChIInChI=1S/C8H17BO/c1-7-6-10(5)9(3,4)8(7)2/h6H2,1-5H3
InChIKeyIQVJUUVWTINRCJ-UHFFFAOYSA-N
MW140.03 g/mol
LogP2.26
Rot. Bonds

About 1,2,2,3,4-pentamethyl-1-oxonia-2-boranuidacyclopent-3-ene

1,2,2,3,4-pentamethyl-1-oxonia-2-boranuidacyclopent-3-ene (PubChem CID 134903588) has the molecular formula C8H17BO and a molecular weight of 140.03 g/mol. Its IUPAC name is 1,2,2,3,4-pentamethyl-1-oxonia-2-boranuidacyclopent-3-ene.

Molecular Properties

Compound Name1,2,2,3,4-pentamethyl-1-oxonia-2-boranuidacyclopent-3-ene
PubChem CID134903588
Molecular FormulaC8H17BO
Molecular Weight140.03 g/mol
Exact Mass140.14
IUPAC Name1,2,2,3,4-pentamethyl-1-oxonia-2-boranuidacyclopent-3-ene
SMILESCC1=C(C)[B-](C)(C)[O+](C)C1
InChIInChI=1S/C8H17BO/c1-7-6-10(5)9(3,4)8(7)2/h6H2,1-5H3
InChIKeyIQVJUUVWTINRCJ-UHFFFAOYSA-N
XLogP2.26
TPSA2.70 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.03
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2,2,3,4-pentamethyl-1-oxonia-2-boranuidacyclopent-3-ene?
The IUPAC name of 1,2,2,3,4-pentamethyl-1-oxonia-2-boranuidacyclopent-3-ene (CID 134903588) is 1,2,2,3,4-pentamethyl-1-oxonia-2-boranuidacyclopent-3-ene.
What is the SMILES notation for 1,2,2,3,4-pentamethyl-1-oxonia-2-boranuidacyclopent-3-ene?
The canonical SMILES for 1,2,2,3,4-pentamethyl-1-oxonia-2-boranuidacyclopent-3-ene is CC1=C(C)[B-](C)(C)[O+](C)C1.
What is the InChIKey of 1,2,2,3,4-pentamethyl-1-oxonia-2-boranuidacyclopent-3-ene?
The InChIKey is IQVJUUVWTINRCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17BO/c1-7-6-10(5)9(3,4)8(7)2/h6H2,1-5H3.
What are the key properties of 1,2,2,3,4-pentamethyl-1-oxonia-2-boranuidacyclopent-3-ene?
1,2,2,3,4-pentamethyl-1-oxonia-2-boranuidacyclopent-3-ene has a molecular weight of 140.03 g/mol, XLogP of 2.26, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,3,4-pentamethyl-1-oxonia-2-boranuidacyclopent-3-ene is sourced from PubChem (CID 134903588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).