CID 123893533

C6H11BIP+ — CID 123893533

IUPAC—
SMILESC=CC[B][PH+](I)CC=C
InChIInChI=1S/C6H11BIP/c1-3-5-7-9(8)6-4-2/h3-4,9H,1-2,5-6H2/q+1
InChIKeyGWUQBHFTRSLIRR-UHFFFAOYSA-N
MW251.84 g/mol
LogP2.96
Rot. Bonds5

About CID 123893533

CID 123893533 (PubChem CID 123893533) has the molecular formula C6H11BIP+ and a molecular weight of 251.84 g/mol.

Molecular Properties

Compound NameCID 123893533
PubChem CID123893533
Molecular FormulaC6H11BIP+
Molecular Weight251.84 g/mol
Exact Mass251.97
IUPAC Name—
SMILESC=CC[B][PH+](I)CC=C
InChIInChI=1S/C6H11BIP/c1-3-5-7-9(8)6-4-2/h3-4,9H,1-2,5-6H2/q+1
InChIKeyGWUQBHFTRSLIRR-UHFFFAOYSA-N
XLogP2.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.84
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

CID 20645184
CID 20645184
CID 58152608
CID 58152608
CID 58219183
CID 58219183
CID 90089857
CID 90089857

Frequently Asked Questions

What is the IUPAC name of CID 123893533?
The IUPAC name of CID 123893533 (CID 123893533) is not available.
What is the SMILES notation for CID 123893533?
The canonical SMILES for CID 123893533 is C=CC[B][PH+](I)CC=C.
What is the InChIKey of CID 123893533?
The InChIKey is GWUQBHFTRSLIRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11BIP/c1-3-5-7-9(8)6-4-2/h3-4,9H,1-2,5-6H2/q+1.
What are the key properties of CID 123893533?
CID 123893533 has a molecular weight of 251.84 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 123893533 is sourced from PubChem (CID 123893533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).