disodium;prop-1-ene;carbonate

C4H6Na2O3 — CID 174861808

IUPACdisodium;prop-1-ene;carbonate
SMILESC=CC.O=C([O-])[O-].[Na+].[Na+]
InChIInChI=1S/C3H6.CH2O3.2Na/c1-3-2;2-1(3)4;;/h3H,1H2,2H3;(H2,2,3,4);;/q;;2*+1/p-2
InChIKeyIDHDZPQOFRLCKW-UHFFFAOYSA-L
MW148.07 g/mol
LogP-7.25
Rot. Bonds

About disodium;prop-1-ene;carbonate

disodium;prop-1-ene;carbonate (PubChem CID 174861808) has the molecular formula C4H6Na2O3 and a molecular weight of 148.07 g/mol. Its IUPAC name is disodium;prop-1-ene;carbonate.

Molecular Properties

Compound Namedisodium;prop-1-ene;carbonate
PubChem CID174861808
Molecular FormulaC4H6Na2O3
Molecular Weight148.07 g/mol
Exact Mass148.01
IUPAC Namedisodium;prop-1-ene;carbonate
SMILESC=CC.O=C([O-])[O-].[Na+].[Na+]
InChIInChI=1S/C3H6.CH2O3.2Na/c1-3-2;2-1(3)4;;/h3H,1H2,2H3;(H2,2,3,4);;/q;;2*+1/p-2
InChIKeyIDHDZPQOFRLCKW-UHFFFAOYSA-L
XLogP-7.25
TPSA63.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.07
LogP ≤ 5-7.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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bis(prop-1-ene);prop-2-enoic acid
CID 118194844
disodium;prop-1-ene;sulfate
CID 172734907
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CID 157292140
acetic acid;carbonic acid;prop-1-ene
CID 87718804
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Frequently Asked Questions

What is the IUPAC name of disodium;prop-1-ene;carbonate?
The IUPAC name of disodium;prop-1-ene;carbonate (CID 174861808) is disodium;prop-1-ene;carbonate.
What is the SMILES notation for disodium;prop-1-ene;carbonate?
The canonical SMILES for disodium;prop-1-ene;carbonate is C=CC.O=C([O-])[O-].[Na+].[Na+].
What is the InChIKey of disodium;prop-1-ene;carbonate?
The InChIKey is IDHDZPQOFRLCKW-UHFFFAOYSA-L. The full InChI is InChI=1S/C3H6.CH2O3.2Na/c1-3-2;2-1(3)4;;/h3H,1H2,2H3;(H2,2,3,4);;/q;;2*+1/p-2.
What are the key properties of disodium;prop-1-ene;carbonate?
disodium;prop-1-ene;carbonate has a molecular weight of 148.07 g/mol, XLogP of -7.25, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;prop-1-ene;carbonate is sourced from PubChem (CID 174861808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).