dodecane;2-methyl-2-(2-methylbutan-2-ylperoxy)butane

C22H48O2 — CID 159573008

IUPACdodecane;2-methyl-2-(2-methylbutan-2-ylperoxy)butane
SMILESCCC(C)(C)OOC(C)(C)CC.CCCCCCCCCCCC
InChIInChI=1S/C12H26.C10H22O2/c1-3-5-7-9-11-12-10-8-6-4-2;1-7-9(3,4)11-12-10(5,6)8-2/h3-12H2,1-2H3;7-8H2,1-6H3
InChIKeyMIBDTNIWCUPBTF-UHFFFAOYSA-N
MW344.62 g/mol
LogP8.24
Rot. Bonds14

About dodecane;2-methyl-2-(2-methylbutan-2-ylperoxy)butane

dodecane;2-methyl-2-(2-methylbutan-2-ylperoxy)butane (PubChem CID 159573008) has the molecular formula C22H48O2 and a molecular weight of 344.62 g/mol. Its IUPAC name is dodecane;2-methyl-2-(2-methylbutan-2-ylperoxy)butane.

Molecular Properties

Compound Namedodecane;2-methyl-2-(2-methylbutan-2-ylperoxy)butane
PubChem CID159573008
Molecular FormulaC22H48O2
Molecular Weight344.62 g/mol
Exact Mass344.37
IUPAC Namedodecane;2-methyl-2-(2-methylbutan-2-ylperoxy)butane
SMILESCCC(C)(C)OOC(C)(C)CC.CCCCCCCCCCCC
InChIInChI=1S/C12H26.C10H22O2/c1-3-5-7-9-11-12-10-8-6-4-2;1-7-9(3,4)11-12-10(5,6)8-2/h3-12H2,1-2H3;7-8H2,1-6H3
InChIKeyMIBDTNIWCUPBTF-UHFFFAOYSA-N
XLogP8.24
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.62
LogP ≤ 58.24
H-Bond Donors ≤ 50
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 dodecane;2-methyl-2-(2-methylbutan-2-ylperoxy)butane 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

1-(2-methylbutan-2-yloxy)tetradecane
CID 86191698
2,2-dimethylpropane;heptane
CID 144531055
decane;ruthenium
CID 160818595
2-tert-butylperoxy-2-methylheptane
CID 21475586
2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;undecane
CID 174934900
hexadecane;pentadecane
CID 159687875
dooctacontane
CID 522649
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782
decane;heptane
CID 159049036
henoctacontane
CID 22086342
CID 161246447
CID 161246447

Frequently Asked Questions

What is the IUPAC name of dodecane;2-methyl-2-(2-methylbutan-2-ylperoxy)butane?
The IUPAC name of dodecane;2-methyl-2-(2-methylbutan-2-ylperoxy)butane (CID 159573008) is dodecane;2-methyl-2-(2-methylbutan-2-ylperoxy)butane.
What is the SMILES notation for dodecane;2-methyl-2-(2-methylbutan-2-ylperoxy)butane?
The canonical SMILES for dodecane;2-methyl-2-(2-methylbutan-2-ylperoxy)butane is CCC(C)(C)OOC(C)(C)CC.CCCCCCCCCCCC.
What is the InChIKey of dodecane;2-methyl-2-(2-methylbutan-2-ylperoxy)butane?
The InChIKey is MIBDTNIWCUPBTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26.C10H22O2/c1-3-5-7-9-11-12-10-8-6-4-2;1-7-9(3,4)11-12-10(5,6)8-2/h3-12H2,1-2H3;7-8H2,1-6H3.
What are the key properties of dodecane;2-methyl-2-(2-methylbutan-2-ylperoxy)butane?
dodecane;2-methyl-2-(2-methylbutan-2-ylperoxy)butane has a molecular weight of 344.62 g/mol, XLogP of 8.24, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dodecane;2-methyl-2-(2-methylbutan-2-ylperoxy)butane is sourced from PubChem (CID 159573008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).