CID 161173679

C8H12Li — CID 161173679

IUPAC—
SMILESCCC1=C(C)CC=C1.[Li]
InChIInChI=1S/C8H12.Li/c1-3-8-6-4-5-7(8)2;/h4,6H,3,5H2,1-2H3;
InChIKeyURNDMDKUIBGOAO-UHFFFAOYSA-N
MW115.12 g/mol
LogP2.29
Rot. Bonds1

About CID 161173679

CID 161173679 (PubChem CID 161173679) has the molecular formula C8H12Li and a molecular weight of 115.12 g/mol.

Molecular Properties

Compound NameCID 161173679
PubChem CID161173679
Molecular FormulaC8H12Li
Molecular Weight115.12 g/mol
Exact Mass115.11
IUPAC Name—
SMILESCCC1=C(C)CC=C1.[Li]
InChIInChI=1S/C8H12.Li/c1-3-8-6-4-5-7(8)2;/h4,6H,3,5H2,1-2H3;
InChIKeyURNDMDKUIBGOAO-UHFFFAOYSA-N
XLogP2.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.12
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of CID 161173679?
The IUPAC name of CID 161173679 (CID 161173679) is not available.
What is the SMILES notation for CID 161173679?
The canonical SMILES for CID 161173679 is CCC1=C(C)CC=C1.[Li].
What is the InChIKey of CID 161173679?
The InChIKey is URNDMDKUIBGOAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12.Li/c1-3-8-6-4-5-7(8)2;/h4,6H,3,5H2,1-2H3;.
What are the key properties of CID 161173679?
CID 161173679 has a molecular weight of 115.12 g/mol, XLogP of 2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 161173679 is sourced from PubChem (CID 161173679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).