CID 135050554

C5H9LiO2 — CID 135050554

IUPAC—
SMILESC[C@@H]1C[CH-]OCO1.[Li+]
InChIInChI=1S/C5H9O2.Li/c1-5-2-3-6-4-7-5;/h3,5H,2,4H2,1H3;/q-1;+1/t5-;/m1./s1
InChIKeyIOQVZNCSKUCMKM-NUBCRITNSA-N
MW108.07 g/mol
LogP-2.06
Rot. Bonds

About CID 135050554

CID 135050554 (PubChem CID 135050554) has the molecular formula C5H9LiO2 and a molecular weight of 108.07 g/mol.

Molecular Properties

Compound NameCID 135050554
PubChem CID135050554
Molecular FormulaC5H9LiO2
Molecular Weight108.07 g/mol
Exact Mass108.08
IUPAC Name—
SMILESC[C@@H]1C[CH-]OCO1.[Li+]
InChIInChI=1S/C5H9O2.Li/c1-5-2-3-6-4-7-5;/h3,5H,2,4H2,1H3;/q-1;+1/t5-;/m1./s1
InChIKeyIOQVZNCSKUCMKM-NUBCRITNSA-N
XLogP-2.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.07
LogP ≤ 5-2.06
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 135050554?
The IUPAC name of CID 135050554 (CID 135050554) is not available.
What is the SMILES notation for CID 135050554?
The canonical SMILES for CID 135050554 is C[C@@H]1C[CH-]OCO1.[Li+].
What is the InChIKey of CID 135050554?
The InChIKey is IOQVZNCSKUCMKM-NUBCRITNSA-N. The full InChI is InChI=1S/C5H9O2.Li/c1-5-2-3-6-4-7-5;/h3,5H,2,4H2,1H3;/q-1;+1/t5-;/m1./s1.
What are the key properties of CID 135050554?
CID 135050554 has a molecular weight of 108.07 g/mol, XLogP of -2.06, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 135050554 is sourced from PubChem (CID 135050554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).