disodium;2-methylidenebutanedioate;methyl prop-2-enoate

C9H10Na2O6 — CID 172852156

IUPACdisodium;2-methylidenebutanedioate;methyl prop-2-enoate
SMILESC=C(CC(=O)[O-])C(=O)[O-].C=CC(=O)OC.[Na+].[Na+]
InChIInChI=1S/C5H6O4.C4H6O2.2Na/c1-3(5(8)9)2-4(6)7;1-3-4(5)6-2;;/h1-2H2,(H,6,7)(H,8,9);3H,1H2,2H3;;/q;;2*+1/p-2
InChIKeyYFEOFMRXTSQNIH-UHFFFAOYSA-L
MW260.15 g/mol
LogP-8.21
Rot. Bonds4

About disodium;2-methylidenebutanedioate;methyl prop-2-enoate

disodium;2-methylidenebutanedioate;methyl prop-2-enoate (PubChem CID 172852156) has the molecular formula C9H10Na2O6 and a molecular weight of 260.15 g/mol. Its IUPAC name is disodium;2-methylidenebutanedioate;methyl prop-2-enoate.

Molecular Properties

Compound Namedisodium;2-methylidenebutanedioate;methyl prop-2-enoate
PubChem CID172852156
Molecular FormulaC9H10Na2O6
Molecular Weight260.15 g/mol
Exact Mass260.03
IUPAC Namedisodium;2-methylidenebutanedioate;methyl prop-2-enoate
SMILESC=C(CC(=O)[O-])C(=O)[O-].C=CC(=O)OC.[Na+].[Na+]
InChIInChI=1S/C5H6O4.C4H6O2.2Na/c1-3(5(8)9)2-4(6)7;1-3-4(5)6-2;;/h1-2H2,(H,6,7)(H,8,9);3H,1H2,2H3;;/q;;2*+1/p-2
InChIKeyYFEOFMRXTSQNIH-UHFFFAOYSA-L
XLogP-8.21
TPSA106.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.15
LogP ≤ 5-8.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

sodium;methyl prop-2-enoate;prop-2-enoate
CID 174422946
bis(methyl prop-2-enoate);propane
CID 160610529
2-methylidenebutanedioate;bis(rubidium(1+))
CID 18408060
formaldehyde;bis(methyl prop-2-enoate)
CID 174834920
hydrogen sulfite;methyl prop-2-enoate
CID 174688508
diazanium;2-methylidenebutanedioate;hydrate
CID 141442888
N-methylmethanamine;methyl prop-2-enoate
CID 160519545
methyl prop-2-enoate;zinc;hydroiodide
CID 174920800
dimethoxymethane;methyl prop-2-enoate
CID 162245850
dimethyltin;methyl prop-2-enoate
CID 174578648
azane;2-methylidenebutanedioic acid;methyl prop-2-enoate
CID 88746751
3-chloroprop-1-ene;methyl prop-2-enoate
CID 19001181

Frequently Asked Questions

What is the IUPAC name of disodium;2-methylidenebutanedioate;methyl prop-2-enoate?
The IUPAC name of disodium;2-methylidenebutanedioate;methyl prop-2-enoate (CID 172852156) is disodium;2-methylidenebutanedioate;methyl prop-2-enoate.
What is the SMILES notation for disodium;2-methylidenebutanedioate;methyl prop-2-enoate?
The canonical SMILES for disodium;2-methylidenebutanedioate;methyl prop-2-enoate is C=C(CC(=O)[O-])C(=O)[O-].C=CC(=O)OC.[Na+].[Na+].
What is the InChIKey of disodium;2-methylidenebutanedioate;methyl prop-2-enoate?
The InChIKey is YFEOFMRXTSQNIH-UHFFFAOYSA-L. The full InChI is InChI=1S/C5H6O4.C4H6O2.2Na/c1-3(5(8)9)2-4(6)7;1-3-4(5)6-2;;/h1-2H2,(H,6,7)(H,8,9);3H,1H2,2H3;;/q;;2*+1/p-2.
What are the key properties of disodium;2-methylidenebutanedioate;methyl prop-2-enoate?
disodium;2-methylidenebutanedioate;methyl prop-2-enoate has a molecular weight of 260.15 g/mol, XLogP of -8.21, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;2-methylidenebutanedioate;methyl prop-2-enoate is sourced from PubChem (CID 172852156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).