hafnium;1-hydroperoxybutane

C4H10HfO2 — CID 159843277

IUPAChafnium;1-hydroperoxybutane
SMILESCCCCOO.[Hf]
InChIInChI=1S/C4H10O2.Hf/c1-2-3-4-6-5;/h5H,2-4H2,1H3;
InChIKeyVMWJNXYRJBLZGT-UHFFFAOYSA-N
MW268.61 g/mol
LogP1.27
Rot. Bonds3

About hafnium;1-hydroperoxybutane

hafnium;1-hydroperoxybutane (PubChem CID 159843277) has the molecular formula C4H10HfO2 and a molecular weight of 268.61 g/mol. Its IUPAC name is hafnium;1-hydroperoxybutane.

Molecular Properties

Compound Namehafnium;1-hydroperoxybutane
PubChem CID159843277
Molecular FormulaC4H10HfO2
Molecular Weight268.61 g/mol
Exact Mass270.01
IUPAC Namehafnium;1-hydroperoxybutane
SMILESCCCCOO.[Hf]
InChIInChI=1S/C4H10O2.Hf/c1-2-3-4-6-5;/h5H,2-4H2,1H3;
InChIKeyVMWJNXYRJBLZGT-UHFFFAOYSA-N
XLogP1.27
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.61
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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'}

Analyze hafnium;1-hydroperoxybutane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cadmium;bis(1-hydroperoxybutane)
CID 134995939
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 hafnium;1-hydroperoxybutane?
The IUPAC name of hafnium;1-hydroperoxybutane (CID 159843277) is hafnium;1-hydroperoxybutane.
What is the SMILES notation for hafnium;1-hydroperoxybutane?
The canonical SMILES for hafnium;1-hydroperoxybutane is CCCCOO.[Hf].
What is the InChIKey of hafnium;1-hydroperoxybutane?
The InChIKey is VMWJNXYRJBLZGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O2.Hf/c1-2-3-4-6-5;/h5H,2-4H2,1H3;.
What are the key properties of hafnium;1-hydroperoxybutane?
hafnium;1-hydroperoxybutane has a molecular weight of 268.61 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hafnium;1-hydroperoxybutane is sourced from PubChem (CID 159843277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).