bis(2-methylprop-2-enoate);samarium

C8H10O4Sm-2 — CID 175299700

IUPACbis(2-methylprop-2-enoate);samarium
SMILESC=C(C)C(=O)[O-].C=C(C)C(=O)[O-].[Sm]
InChIInChI=1S/2C4H6O2.Sm/c2*1-3(2)4(5)6;/h2*1H2,2H3,(H,5,6);/p-2
InChIKeyGJNCYYUQSDENHI-UHFFFAOYSA-L
MW320.52 g/mol
LogP-1.38
Rot. Bonds2

About bis(2-methylprop-2-enoate);samarium

bis(2-methylprop-2-enoate);samarium (PubChem CID 175299700) has the molecular formula C8H10O4Sm-2 and a molecular weight of 320.52 g/mol. Its IUPAC name is bis(2-methylprop-2-enoate);samarium.

Molecular Properties

Compound Namebis(2-methylprop-2-enoate);samarium
PubChem CID175299700
Molecular FormulaC8H10O4Sm-2
Molecular Weight320.52 g/mol
Exact Mass321.98
IUPAC Namebis(2-methylprop-2-enoate);samarium
SMILESC=C(C)C(=O)[O-].C=C(C)C(=O)[O-].[Sm]
InChIInChI=1S/2C4H6O2.Sm/c2*1-3(2)4(5)6;/h2*1H2,2H3,(H,5,6);/p-2
InChIKeyGJNCYYUQSDENHI-UHFFFAOYSA-L
XLogP-1.38
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.52
LogP ≤ 5-1.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methylprop-2-enoate
CID 19005746
gadolinium(3+);tris(2-methylprop-2-enoate)
CID 162156326
hexakis(2-methylprop-2-enoate);molybdenum
CID 173015670
sodium;ethene;2-methylprop-2-enoate
CID 23688925
calcium;2-methylprop-2-enoate;chloride
CID 174912380
chromium(3+);2-methylprop-2-enoate;chloride
CID 19738661
CID 159432817
CID 159432817
tris(cyclododecane);bis(2-methylprop-2-enoate)
CID 22328247
2-methylprop-2-enoate;trifluoromethane
CID 158491697
potassium;ethene;2-methylprop-2-enoate;2-methylprop-2-enoic acid
CID 23715908
sodium;ethene;2-methylprop-2-enoate;2-methylprop-2-enoic acid
CID 159840606
2-methylprop-2-enoate isocyanate
CID 86653408

Frequently Asked Questions

What is the IUPAC name of bis(2-methylprop-2-enoate);samarium?
The IUPAC name of bis(2-methylprop-2-enoate);samarium (CID 175299700) is bis(2-methylprop-2-enoate);samarium.
What is the SMILES notation for bis(2-methylprop-2-enoate);samarium?
The canonical SMILES for bis(2-methylprop-2-enoate);samarium is C=C(C)C(=O)[O-].C=C(C)C(=O)[O-].[Sm].
What is the InChIKey of bis(2-methylprop-2-enoate);samarium?
The InChIKey is GJNCYYUQSDENHI-UHFFFAOYSA-L. The full InChI is InChI=1S/2C4H6O2.Sm/c2*1-3(2)4(5)6;/h2*1H2,2H3,(H,5,6);/p-2.
What are the key properties of bis(2-methylprop-2-enoate);samarium?
bis(2-methylprop-2-enoate);samarium has a molecular weight of 320.52 g/mol, XLogP of -1.38, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methylprop-2-enoate);samarium is sourced from PubChem (CID 175299700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).