CID 23700141

C8H11LiO2 — CID 23700141

IUPAC—
SMILES[C-]1=CC2(CCC1)OCCO2.[Li+]
InChIInChI=1S/C8H11O2.Li/c1-2-4-8(5-3-1)9-6-7-10-8;/h5H,1-2,4,6-7H2;/q-1;+1
InChIKeyDHJLBLZBQVVUGR-UHFFFAOYSA-N
MW146.12 g/mol
LogP-1.72
Rot. Bonds

About CID 23700141

CID 23700141 (PubChem CID 23700141) has the molecular formula C8H11LiO2 and a molecular weight of 146.12 g/mol.

Molecular Properties

Compound NameCID 23700141
PubChem CID23700141
Molecular FormulaC8H11LiO2
Molecular Weight146.12 g/mol
Exact Mass146.09
IUPAC Name—
SMILES[C-]1=CC2(CCC1)OCCO2.[Li+]
InChIInChI=1S/C8H11O2.Li/c1-2-4-8(5-3-1)9-6-7-10-8;/h5H,1-2,4,6-7H2;/q-1;+1
InChIKeyDHJLBLZBQVVUGR-UHFFFAOYSA-N
XLogP-1.72
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.12
LogP ≤ 5-1.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 23700141?
The IUPAC name of CID 23700141 (CID 23700141) is not available.
What is the SMILES notation for CID 23700141?
The canonical SMILES for CID 23700141 is [C-]1=CC2(CCC1)OCCO2.[Li+].
What is the InChIKey of CID 23700141?
The InChIKey is DHJLBLZBQVVUGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11O2.Li/c1-2-4-8(5-3-1)9-6-7-10-8;/h5H,1-2,4,6-7H2;/q-1;+1.
What are the key properties of CID 23700141?
CID 23700141 has a molecular weight of 146.12 g/mol, XLogP of -1.72, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 23700141 is sourced from PubChem (CID 23700141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).