CID 87242342

C5H6O5Sr — CID 87242342

IUPAC—
SMILESO=C(O)CCC(=O)C(=O)O.[Sr]
InChIInChI=1S/C5H6O5.Sr/c6-3(5(9)10)1-2-4(7)8;/h1-2H2,(H,7,8)(H,9,10);
InChIKeyUELNPLUZDXTLAN-UHFFFAOYSA-N
MW233.72 g/mol
LogP-0.88
Rot. Bonds4

About CID 87242342

CID 87242342 (PubChem CID 87242342) has the molecular formula C5H6O5Sr and a molecular weight of 233.72 g/mol.

Molecular Properties

Compound NameCID 87242342
PubChem CID87242342
Molecular FormulaC5H6O5Sr
Molecular Weight233.72 g/mol
Exact Mass233.93
IUPAC Name—
SMILESO=C(O)CCC(=O)C(=O)O.[Sr]
InChIInChI=1S/C5H6O5.Sr/c6-3(5(9)10)1-2-4(7)8;/h1-2H2,(H,7,8)(H,9,10);
InChIKeyUELNPLUZDXTLAN-UHFFFAOYSA-N
XLogP-0.88
TPSA91.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.72
LogP ≤ 5-0.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

butanedioic acid;2-oxopentanedioic acid
CID 87572846
lanthanum;2-oxopentanedioic acid
CID 174979483
magnesium;hydride;2-oxopentanedioic acid
CID 173080556
2-oxopentanedioic acid;propanoic acid
CID 159621051
2-oxopentanedioic acid;propane-1,2,3-triol
CID 172704231
5-oxohexanoic acid;2-oxopentanedioic acid
CID 158756132
2-oxotridecanedioic acid
CID 57104850
2-oxononadecanedioic acid
CID 19882771
trisodium;butanedioic acid
CID 175698490
bis(butanedioic acid);silane
CID 173419629
butanedioic acid;hydrochloride
CID 87113713
bis(butanedioic acid);carbonic acid
CID 159577506

Frequently Asked Questions

What is the IUPAC name of CID 87242342?
The IUPAC name of CID 87242342 (CID 87242342) is not available.
What is the SMILES notation for CID 87242342?
The canonical SMILES for CID 87242342 is O=C(O)CCC(=O)C(=O)O.[Sr].
What is the InChIKey of CID 87242342?
The InChIKey is UELNPLUZDXTLAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6O5.Sr/c6-3(5(9)10)1-2-4(7)8;/h1-2H2,(H,7,8)(H,9,10);.
What are the key properties of CID 87242342?
CID 87242342 has a molecular weight of 233.72 g/mol, XLogP of -0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87242342 is sourced from PubChem (CID 87242342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).