CID 177449695

C14H17Li — CID 177449695

IUPAC—
SMILES[Li+].c1ccc(C23CC[C-](CC2)CC3)cc1
InChIInChI=1S/C14H17.Li/c1-2-4-13(5-3-1)14-9-6-12(7-10-14)8-11-14;/h1-5H,6-11H2;/q-1;+1
InChIKeyQJMKSQZGBIUEIW-UHFFFAOYSA-N
MW192.23 g/mol
LogP0.87
Rot. Bonds1

About CID 177449695

CID 177449695 (PubChem CID 177449695) has the molecular formula C14H17Li and a molecular weight of 192.23 g/mol.

Molecular Properties

Compound NameCID 177449695
PubChem CID177449695
Molecular FormulaC14H17Li
Molecular Weight192.23 g/mol
Exact Mass192.15
IUPAC Name—
SMILES[Li+].c1ccc(C23CC[C-](CC2)CC3)cc1
InChIInChI=1S/C14H17.Li/c1-2-4-13(5-3-1)14-9-6-12(7-10-14)8-11-14;/h1-5H,6-11H2;/q-1;+1
InChIKeyQJMKSQZGBIUEIW-UHFFFAOYSA-N
XLogP0.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.23
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 177449695?
The IUPAC name of CID 177449695 (CID 177449695) is not available.
What is the SMILES notation for CID 177449695?
The canonical SMILES for CID 177449695 is [Li+].c1ccc(C23CC[C-](CC2)CC3)cc1.
What is the InChIKey of CID 177449695?
The InChIKey is QJMKSQZGBIUEIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17.Li/c1-2-4-13(5-3-1)14-9-6-12(7-10-14)8-11-14;/h1-5H,6-11H2;/q-1;+1.
What are the key properties of CID 177449695?
CID 177449695 has a molecular weight of 192.23 g/mol, XLogP of 0.87, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 177449695 is sourced from PubChem (CID 177449695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).