2-methoxyperoxy-2-methyldecane

C12H26O3 — CID 90108223

IUPAC2-methoxyperoxy-2-methyldecane
SMILESCCCCCCCCC(C)(C)OOOC
InChIInChI=1S/C12H26O3/c1-5-6-7-8-9-10-11-12(2,3)14-15-13-4/h5-11H2,1-4H3
InChIKeyKLQWCXFXOKSPSK-UHFFFAOYSA-N
MW218.34 g/mol
LogP4.03
Rot. Bonds10

About 2-methoxyperoxy-2-methyldecane

2-methoxyperoxy-2-methyldecane (PubChem CID 90108223) has the molecular formula C12H26O3 and a molecular weight of 218.34 g/mol. Its IUPAC name is 2-methoxyperoxy-2-methyldecane.

Molecular Properties

Compound Name2-methoxyperoxy-2-methyldecane
PubChem CID90108223
Molecular FormulaC12H26O3
Molecular Weight218.34 g/mol
Exact Mass218.19
IUPAC Name2-methoxyperoxy-2-methyldecane
SMILESCCCCCCCCC(C)(C)OOOC
InChIInChI=1S/C12H26O3/c1-5-6-7-8-9-10-11-12(2,3)14-15-13-4/h5-11H2,1-4H3
InChIKeyKLQWCXFXOKSPSK-UHFFFAOYSA-N
XLogP4.03
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2-methoxyperoxy-2-methyldecane 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

2-methoxyperoxy-2-methylnonane
CID 90108222
2-tert-butylperoxy-2-methylheptane
CID 21475586
2-methylicosan-2-yloxysilane
CID 173002328
2-hydroperoxy-2-methyltridecane
CID 140639786
2-hydroperoxy-2-methylnonane
CID 15188455
2-ethoxy-2-methylundecane
CID 150956805
octadecyl 2-(2-methylheptan-2-yloxyperoxy)-2-oxoacetate
CID 23372244
2-dodecoxy-2-methyltetradecane
CID 158074564
butan-2-yl 2-methylheptan-2-ylperoxy carbonate
CID 139911710
2-methylheptan-2-yl tridecaneperoxoate
CID 101276266
2-methyldodecan-2-yloxy benzenecarboperoxoate
CID 174353000
dodecane;2-methyl-2-(2-methylbutan-2-ylperoxy)butane
CID 159573008

Frequently Asked Questions

What is the IUPAC name of 2-methoxyperoxy-2-methyldecane?
The IUPAC name of 2-methoxyperoxy-2-methyldecane (CID 90108223) is 2-methoxyperoxy-2-methyldecane.
What is the SMILES notation for 2-methoxyperoxy-2-methyldecane?
The canonical SMILES for 2-methoxyperoxy-2-methyldecane is CCCCCCCCC(C)(C)OOOC.
What is the InChIKey of 2-methoxyperoxy-2-methyldecane?
The InChIKey is KLQWCXFXOKSPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O3/c1-5-6-7-8-9-10-11-12(2,3)14-15-13-4/h5-11H2,1-4H3.
What are the key properties of 2-methoxyperoxy-2-methyldecane?
2-methoxyperoxy-2-methyldecane has a molecular weight of 218.34 g/mol, XLogP of 4.03, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyperoxy-2-methyldecane is sourced from PubChem (CID 90108223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).