ethynolate

C2HO- — CID 12844167

IUPACethynolate
SMILESC#C[O-]
InChIInChI=1S/C2H2O/c1-2-3/h1,3H/p-1
InChIKeyQFXZANXYUCUTQH-UHFFFAOYSA-M
MW41.03 g/mol
LogP-1.06
Rot. Bonds

About ethynolate

ethynolate (PubChem CID 12844167) has the molecular formula C2HO- and a molecular weight of 41.03 g/mol. Its IUPAC name is ethynolate.

Molecular Properties

Compound Nameethynolate
PubChem CID12844167
Molecular FormulaC2HO-
Molecular Weight41.03 g/mol
Exact Mass41.00
IUPAC Nameethynolate
SMILESC#C[O-]
InChIInChI=1S/C2H2O/c1-2-3/h1,3H/p-1
InChIKeyQFXZANXYUCUTQH-UHFFFAOYSA-M
XLogP-1.06
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms3
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50041.03
LogP ≤ 5-1.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze ethynolate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethynolate?
The IUPAC name of ethynolate (CID 12844167) is ethynolate.
What is the SMILES notation for ethynolate?
The canonical SMILES for ethynolate is C#C[O-].
What is the InChIKey of ethynolate?
The InChIKey is QFXZANXYUCUTQH-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H2O/c1-2-3/h1,3H/p-1.
What are the key properties of ethynolate?
ethynolate has a molecular weight of 41.03 g/mol, XLogP of -1.06, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethynolate is sourced from PubChem (CID 12844167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).