CID 160899482

C4H6LiO — CID 160899482

IUPAC—
SMILESC#COCC.[Li]
InChIInChI=1S/C4H6O.Li/c1-3-5-4-2;/h1H,4H2,2H3;
InChIKeySPHRMSOVMOHWNK-UHFFFAOYSA-N
MW77.03 g/mol
LogP0.23
Rot. Bonds1

About CID 160899482

CID 160899482 (PubChem CID 160899482) has the molecular formula C4H6LiO and a molecular weight of 77.03 g/mol.

Molecular Properties

Compound NameCID 160899482
PubChem CID160899482
Molecular FormulaC4H6LiO
Molecular Weight77.03 g/mol
Exact Mass77.06
IUPAC Name—
SMILESC#COCC.[Li]
InChIInChI=1S/C4H6O.Li/c1-3-5-4-2;/h1H,4H2,2H3;
InChIKeySPHRMSOVMOHWNK-UHFFFAOYSA-N
XLogP0.23
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50077.03
LogP ≤ 50.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 160899482?
The IUPAC name of CID 160899482 (CID 160899482) is not available.
What is the SMILES notation for CID 160899482?
The canonical SMILES for CID 160899482 is C#COCC.[Li].
What is the InChIKey of CID 160899482?
The InChIKey is SPHRMSOVMOHWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O.Li/c1-3-5-4-2;/h1H,4H2,2H3;.
What are the key properties of CID 160899482?
CID 160899482 has a molecular weight of 77.03 g/mol, XLogP of 0.23, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 160899482 is sourced from PubChem (CID 160899482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).