CID 159548628

C5H8O2Rb — CID 159548628

IUPAC—
SMILESCC(=O)CC(C)=O.[Rb]
InChIInChI=1S/C5H8O2.Rb/c1-4(6)3-5(2)7;/h3H2,1-2H3;
InChIKeyMFCNSZCLONIACF-UHFFFAOYSA-N
MW185.58 g/mol
LogP0.17
Rot. Bonds2

About CID 159548628

CID 159548628 (PubChem CID 159548628) has the molecular formula C5H8O2Rb and a molecular weight of 185.58 g/mol.

Molecular Properties

Compound NameCID 159548628
PubChem CID159548628
Molecular FormulaC5H8O2Rb
Molecular Weight185.58 g/mol
Exact Mass184.96
IUPAC Name—
SMILESCC(=O)CC(C)=O.[Rb]
InChIInChI=1S/C5H8O2.Rb/c1-4(6)3-5(2)7;/h3H2,1-2H3;
InChIKeyMFCNSZCLONIACF-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 ≤ 500185.58
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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ethane;tris(pentane-2,4-dione)
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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
nickel;pentane-2,4-dione
CID 158705791
silver pentane-2,4-dione
CID 21252539
CID 87579488
CID 87579488
lanthanum;pentane-2,4-dione;dihydrate
CID 158849371
cerium;pentane-2,4-dione;hydrate
CID 86734909

Frequently Asked Questions

What is the IUPAC name of CID 159548628?
The IUPAC name of CID 159548628 (CID 159548628) is not available.
What is the SMILES notation for CID 159548628?
The canonical SMILES for CID 159548628 is CC(=O)CC(C)=O.[Rb].
What is the InChIKey of CID 159548628?
The InChIKey is MFCNSZCLONIACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O2.Rb/c1-4(6)3-5(2)7;/h3H2,1-2H3;.
What are the key properties of CID 159548628?
CID 159548628 has a molecular weight of 185.58 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 159548628 is sourced from PubChem (CID 159548628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).