cadmium;bis(1-hydroperoxybutane)

C8H20CdO4 — CID 134995939

IUPACcadmium;bis(1-hydroperoxybutane)
SMILESCCCCOO.CCCCOO.[Cd]
InChIInChI=1S/2C4H10O2.Cd/c2*1-2-3-4-6-5;/h2*5H,2-4H2,1H3;
InChIKeyYDOIGIKORPNSIY-UHFFFAOYSA-N
MW292.66 g/mol
LogP2.55
Rot. Bonds6

About cadmium;bis(1-hydroperoxybutane)

cadmium;bis(1-hydroperoxybutane) (PubChem CID 134995939) has the molecular formula C8H20CdO4 and a molecular weight of 292.66 g/mol. Its IUPAC name is cadmium;bis(1-hydroperoxybutane).

Molecular Properties

Compound Namecadmium;bis(1-hydroperoxybutane)
PubChem CID134995939
Molecular FormulaC8H20CdO4
Molecular Weight292.66 g/mol
Exact Mass294.04
IUPAC Namecadmium;bis(1-hydroperoxybutane)
SMILESCCCCOO.CCCCOO.[Cd]
InChIInChI=1S/2C4H10O2.Cd/c2*1-2-3-4-6-5;/h2*5H,2-4H2,1H3;
InChIKeyYDOIGIKORPNSIY-UHFFFAOYSA-N
XLogP2.55
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.66
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

hafnium;1-hydroperoxybutane
CID 159843277
1-hydroperoxybutane;molecular hydrogen
CID 174325237
1-hydroperoxyheptadecane
CID 123893325
magnesium;hydride;1-hydroperoxypentane
CID 175424420
N,N-dimethylmethanamine;1-hydroperoxydodecane
CID 174656380
carbonic acid;1-hydroperoxydocosane
CID 175324088
1,3-dihydroperoxypropane
CID 87409456
1-hydroperoxydec-5-ene
CID 91009595
bis(1-hydroperoxytetradecane) dicarbonate
CID 18381164
butanedioic acid;1-hydroperoxyoctadecane
CID 154975384
28-hydroperoxyoctacosan-13-ol
CID 150235554
1-(2-hydroperoxyethoxy)tridecane
CID 87578926

Frequently Asked Questions

What is the IUPAC name of cadmium;bis(1-hydroperoxybutane)?
The IUPAC name of cadmium;bis(1-hydroperoxybutane) (CID 134995939) is cadmium;bis(1-hydroperoxybutane).
What is the SMILES notation for cadmium;bis(1-hydroperoxybutane)?
The canonical SMILES for cadmium;bis(1-hydroperoxybutane) is CCCCOO.CCCCOO.[Cd].
What is the InChIKey of cadmium;bis(1-hydroperoxybutane)?
The InChIKey is YDOIGIKORPNSIY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H10O2.Cd/c2*1-2-3-4-6-5;/h2*5H,2-4H2,1H3;.
What are the key properties of cadmium;bis(1-hydroperoxybutane)?
cadmium;bis(1-hydroperoxybutane) has a molecular weight of 292.66 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cadmium;bis(1-hydroperoxybutane) is sourced from PubChem (CID 134995939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).