CID 174884926

C18H16BLi — CID 174884926

IUPAC—
SMILES[B-].[Li+].c1ccc2c(c1)ccc1c3c(ccc12)CCCC3
InChIInChI=1S/C18H16.B.Li/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18;;/h1,3,5,7,9-12H,2,4,6,8H2;;/q;-1;+1
InChIKeyUFJBBUWVMKOCTE-UHFFFAOYSA-N
MW250.08 g/mol
LogP1.50
Rot. Bonds

About CID 174884926

CID 174884926 (PubChem CID 174884926) has the molecular formula C18H16BLi and a molecular weight of 250.08 g/mol.

Molecular Properties

Compound NameCID 174884926
PubChem CID174884926
Molecular FormulaC18H16BLi
Molecular Weight250.08 g/mol
Exact Mass250.15
IUPAC Name—
SMILES[B-].[Li+].c1ccc2c(c1)ccc1c3c(ccc12)CCCC3
InChIInChI=1S/C18H16.B.Li/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18;;/h1,3,5,7,9-12H,2,4,6,8H2;;/q;-1;+1
InChIKeyUFJBBUWVMKOCTE-UHFFFAOYSA-N
XLogP1.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.08
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 174884926?
The IUPAC name of CID 174884926 (CID 174884926) is not available.
What is the SMILES notation for CID 174884926?
The canonical SMILES for CID 174884926 is [B-].[Li+].c1ccc2c(c1)ccc1c3c(ccc12)CCCC3.
What is the InChIKey of CID 174884926?
The InChIKey is UFJBBUWVMKOCTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16.B.Li/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18;;/h1,3,5,7,9-12H,2,4,6,8H2;;/q;-1;+1.
What are the key properties of CID 174884926?
CID 174884926 has a molecular weight of 250.08 g/mol, XLogP of 1.50, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174884926 is sourced from PubChem (CID 174884926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).