CID 159014150

C4H6NaO — CID 159014150

IUPAC—
SMILESC=COC=C.[Na]
InChIInChI=1S/C4H6O.Na/c1-3-5-4-2;/h3-4H,1-2H2;
InChIKeyJSWHYYKIRGBWTI-UHFFFAOYSA-N
MW93.08 g/mol
LogP0.91
Rot. Bonds2

About CID 159014150

CID 159014150 (PubChem CID 159014150) has the molecular formula C4H6NaO and a molecular weight of 93.08 g/mol.

Molecular Properties

Compound NameCID 159014150
PubChem CID159014150
Molecular FormulaC4H6NaO
Molecular Weight93.08 g/mol
Exact Mass93.03
IUPAC Name—
SMILESC=COC=C.[Na]
InChIInChI=1S/C4H6O.Na/c1-3-5-4-2;/h3-4H,1-2H2;
InChIKeyJSWHYYKIRGBWTI-UHFFFAOYSA-N
XLogP0.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50093.08
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 159014150?
The IUPAC name of CID 159014150 (CID 159014150) is not available.
What is the SMILES notation for CID 159014150?
The canonical SMILES for CID 159014150 is C=COC=C.[Na].
What is the InChIKey of CID 159014150?
The InChIKey is JSWHYYKIRGBWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O.Na/c1-3-5-4-2;/h3-4H,1-2H2;.
What are the key properties of CID 159014150?
CID 159014150 has a molecular weight of 93.08 g/mol, XLogP of 0.91, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159014150 is sourced from PubChem (CID 159014150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).