CID 59102011

C5H7O2Se — CID 59102011

IUPAC—
SMILESCC(=O)CCC(=O)[Se]
InChIInChI=1S/C5H7O2Se/c1-4(6)2-3-5(7)8/h2-3H2,1H3
InChIKeyFSCVZZZISHYYFU-UHFFFAOYSA-N
MW178.07 g/mol
LogP0.05
Rot. Bonds3

About CID 59102011

CID 59102011 (PubChem CID 59102011) has the molecular formula C5H7O2Se and a molecular weight of 178.07 g/mol.

Molecular Properties

Compound NameCID 59102011
PubChem CID59102011
Molecular FormulaC5H7O2Se
Molecular Weight178.07 g/mol
Exact Mass178.96
IUPAC Name—
SMILESCC(=O)CCC(=O)[Se]
InChIInChI=1S/C5H7O2Se/c1-4(6)2-3-5(7)8/h2-3H2,1H3
InChIKeyFSCVZZZISHYYFU-UHFFFAOYSA-N
XLogP0.05
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.07
LogP ≤ 50.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

hexane-2,5-dione
CID 8035
docosane-2,21-dione
CID 537416
pentadecane-2,14-dione
CID 10966641
methyl 4-oxopentanoate;propan-2-one
CID 102601184
methane;methyl 4-oxopentanoate
CID 157451764
4-oxopentanoic acid;zinc
CID 87190982
dotriactane-2,7,8,13,14,19,20,25,26,31,32,37,38,43,44,49,50,55,56,61,62,67,68,73,74,79,80,85,86,91,92,97,98,103,104,109,110,115,116,121,122,127,128,133,134,139,140,145,146,151,152,157,158,163,164,169,170,175,176,181,182,187,188,193,194,199,200,205,206,211,212,217,218,223,224,229,230,235,236,241,242,247,248,253,254,259,260,265,266,271,272,277,278,283,284,289,290,295,296,301-hectone
CID 140812366
hexane-2,5-di(18O)one
CID 90798062
methyl-oxo-(4-oxopentyl)phosphanium
CID 89067347
4-oxopentanamide;zirconium
CID 174464202
dicalcium;hydride;bis(4-oxopentanoic acid)
CID 174942614
copper bis(4-oxopentanoate)
CID 86599724

Frequently Asked Questions

What is the IUPAC name of CID 59102011?
The IUPAC name of CID 59102011 (CID 59102011) is not available.
What is the SMILES notation for CID 59102011?
The canonical SMILES for CID 59102011 is CC(=O)CCC(=O)[Se].
What is the InChIKey of CID 59102011?
The InChIKey is FSCVZZZISHYYFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7O2Se/c1-4(6)2-3-5(7)8/h2-3H2,1H3.
What are the key properties of CID 59102011?
CID 59102011 has a molecular weight of 178.07 g/mol, XLogP of 0.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59102011 is sourced from PubChem (CID 59102011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).