CID 170852336

C5H10LiO2 — CID 170852336

IUPAC—
SMILESC=C.C=CC(=O)O.[H][H].[Li]
InChIInChI=1S/C3H4O2.C2H4.Li.H2/c1-2-3(4)5;1-2;;/h2H,1H2,(H,4,5);1-2H2;;1H
InChIKeyFOPVRDLMWRTUQM-UHFFFAOYSA-N
MW109.07 g/mol
LogP0.92
Rot. Bonds1

About CID 170852336

CID 170852336 (PubChem CID 170852336) has the molecular formula C5H10LiO2 and a molecular weight of 109.07 g/mol.

Molecular Properties

Compound NameCID 170852336
PubChem CID170852336
Molecular FormulaC5H10LiO2
Molecular Weight109.07 g/mol
Exact Mass109.08
IUPAC Name—
SMILESC=C.C=CC(=O)O.[H][H].[Li]
InChIInChI=1S/C3H4O2.C2H4.Li.H2/c1-2-3(4)5;1-2;;/h2H,1H2,(H,4,5);1-2H2;;1H
InChIKeyFOPVRDLMWRTUQM-UHFFFAOYSA-N
XLogP0.92
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.07
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 170852336?
The IUPAC name of CID 170852336 (CID 170852336) is not available.
What is the SMILES notation for CID 170852336?
The canonical SMILES for CID 170852336 is C=C.C=CC(=O)O.[H][H].[Li].
What is the InChIKey of CID 170852336?
The InChIKey is FOPVRDLMWRTUQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4O2.C2H4.Li.H2/c1-2-3(4)5;1-2;;/h2H,1H2,(H,4,5);1-2H2;;1H.
What are the key properties of CID 170852336?
CID 170852336 has a molecular weight of 109.07 g/mol, XLogP of 0.92, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 170852336 is sourced from PubChem (CID 170852336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).