sodium prop-2-enyl carbonate

C4H5NaO3 — CID 23717119

IUPACsodium prop-2-enyl carbonate
SMILESC=CCOC(=O)[O-].[Na+]
InChIInChI=1S/C4H6O3.Na/c1-2-3-7-4(5)6;/h2H,1,3H2,(H,5,6);/q;+1/p-1
InChIKeyKSZMOOVMIIQFHA-UHFFFAOYSA-M
MW124.07 g/mol
LogP-3.46
Rot. Bonds2

About sodium prop-2-enyl carbonate

sodium prop-2-enyl carbonate (PubChem CID 23717119) has the molecular formula C4H5NaO3 and a molecular weight of 124.07 g/mol. Its IUPAC name is sodium prop-2-enyl carbonate.

Molecular Properties

Compound Namesodium prop-2-enyl carbonate
PubChem CID23717119
Molecular FormulaC4H5NaO3
Molecular Weight124.07 g/mol
Exact Mass124.01
IUPAC Namesodium prop-2-enyl carbonate
SMILESC=CCOC(=O)[O-].[Na+]
InChIInChI=1S/C4H6O3.Na/c1-2-3-7-4(5)6;/h2H,1,3H2,(H,5,6);/q;+1/p-1
InChIKeyKSZMOOVMIIQFHA-UHFFFAOYSA-M
XLogP-3.46
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.07
LogP ≤ 5-3.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium prop-2-enyl carbonate?
The IUPAC name of sodium prop-2-enyl carbonate (CID 23717119) is sodium prop-2-enyl carbonate.
What is the SMILES notation for sodium prop-2-enyl carbonate?
The canonical SMILES for sodium prop-2-enyl carbonate is C=CCOC(=O)[O-].[Na+].
What is the InChIKey of sodium prop-2-enyl carbonate?
The InChIKey is KSZMOOVMIIQFHA-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H6O3.Na/c1-2-3-7-4(5)6;/h2H,1,3H2,(H,5,6);/q;+1/p-1.
What are the key properties of sodium prop-2-enyl carbonate?
sodium prop-2-enyl carbonate has a molecular weight of 124.07 g/mol, XLogP of -3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium prop-2-enyl carbonate is sourced from PubChem (CID 23717119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).