CID 87579488

C5H8O2Sr — CID 87579488

IUPAC—
SMILESCC(=O)CC(C)=O.[Sr]
InChIInChI=1S/C5H8O2.Sr/c1-4(6)3-5(2)7;/h3H2,1-2H3;
InChIKeyQBWLICQEHVCVAY-UHFFFAOYSA-N
MW187.74 g/mol
LogP0.17
Rot. Bonds2

About CID 87579488

CID 87579488 (PubChem CID 87579488) has the molecular formula C5H8O2Sr and a molecular weight of 187.74 g/mol.

Molecular Properties

Compound NameCID 87579488
PubChem CID87579488
Molecular FormulaC5H8O2Sr
Molecular Weight187.74 g/mol
Exact Mass187.96
IUPAC Name—
SMILESCC(=O)CC(C)=O.[Sr]
InChIInChI=1S/C5H8O2.Sr/c1-4(6)3-5(2)7;/h3H2,1-2H3;
InChIKeyQBWLICQEHVCVAY-UHFFFAOYSA-N
XLogP0.17
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.74
LogP ≤ 50.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

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CID 87073525
CID 87073525
ethane;tris(pentane-2,4-dione)
CID 158826280
molybdenum(4+);tetrakis(pentane-2,4-dione)
CID 11705952
potassium pentane-2,4-dione
CID 19762724
barium(2+);pentane-2,4-dione
CID 23298949
CID 15855332
CID 15855332
silver pentane-2,4-dione
CID 21252539
nickel;pentane-2,4-dione
CID 158705791
cerium;pentane-2,4-dione;hydrate
CID 86734909
pentane-2,4-dione;propan-2-one;ruthenium
CID 175213221

Frequently Asked Questions

What is the IUPAC name of CID 87579488?
The IUPAC name of CID 87579488 (CID 87579488) is not available.
What is the SMILES notation for CID 87579488?
The canonical SMILES for CID 87579488 is CC(=O)CC(C)=O.[Sr].
What is the InChIKey of CID 87579488?
The InChIKey is QBWLICQEHVCVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O2.Sr/c1-4(6)3-5(2)7;/h3H2,1-2H3;.
What are the key properties of CID 87579488?
CID 87579488 has a molecular weight of 187.74 g/mol, XLogP of 0.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87579488 is sourced from PubChem (CID 87579488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).