CID 159076923

C12H16Li — CID 159076923

IUPAC—
SMILES[Li].c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C12H16.Li/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;/h1,3-4,7-8,12H,2,5-6,9-10H2;
InChIKeyKAJDOKRVEXEJEL-UHFFFAOYSA-N
MW167.20 g/mol
LogP3.35
Rot. Bonds1

About CID 159076923

CID 159076923 (PubChem CID 159076923) has the molecular formula C12H16Li and a molecular weight of 167.20 g/mol.

Molecular Properties

Compound NameCID 159076923
PubChem CID159076923
Molecular FormulaC12H16Li
Molecular Weight167.20 g/mol
Exact Mass167.14
IUPAC Name—
SMILES[Li].c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C12H16.Li/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;/h1,3-4,7-8,12H,2,5-6,9-10H2;
InChIKeyKAJDOKRVEXEJEL-UHFFFAOYSA-N
XLogP3.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.20
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of CID 159076923?
The IUPAC name of CID 159076923 (CID 159076923) is not available.
What is the SMILES notation for CID 159076923?
The canonical SMILES for CID 159076923 is [Li].c1ccc(C2CCCCC2)cc1.
What is the InChIKey of CID 159076923?
The InChIKey is KAJDOKRVEXEJEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16.Li/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;/h1,3-4,7-8,12H,2,5-6,9-10H2;.
What are the key properties of CID 159076923?
CID 159076923 has a molecular weight of 167.20 g/mol, XLogP of 3.35, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159076923 is sourced from PubChem (CID 159076923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).