CID 100966280

C2HO — CID 100966280

IUPAC—
SMILES[2H]C#C[O]
InChIInChI=1S/C2HO/c1-2-3/h1H/i1D
InChIKeyQEJQAPYSVNHDJF-MICDWDOJSA-N
MW42.04 g/mol
LogP0.01
Rot. Bonds

About CID 100966280

CID 100966280 (PubChem CID 100966280) has the molecular formula C2HO and a molecular weight of 42.04 g/mol.

Molecular Properties

Compound NameCID 100966280
PubChem CID100966280
Molecular FormulaC2HO
Molecular Weight42.04 g/mol
Exact Mass42.01
IUPAC Name—
SMILES[2H]C#C[O]
InChIInChI=1S/C2HO/c1-2-3/h1H/i1D
InChIKeyQEJQAPYSVNHDJF-MICDWDOJSA-N
XLogP0.01
TPSA19.90 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms3
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50042.04
LogP ≤ 50.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 100966280?
The IUPAC name of CID 100966280 (CID 100966280) is not available.
What is the SMILES notation for CID 100966280?
The canonical SMILES for CID 100966280 is [2H]C#C[O].
What is the InChIKey of CID 100966280?
The InChIKey is QEJQAPYSVNHDJF-MICDWDOJSA-N. The full InChI is InChI=1S/C2HO/c1-2-3/h1H/i1D.
What are the key properties of CID 100966280?
CID 100966280 has a molecular weight of 42.04 g/mol, XLogP of 0.01, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 100966280 is sourced from PubChem (CID 100966280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).