4-ethyl-4-[2-[2-ethyl-4-methyl-2-(2-methylpropyl)pentyl]peroxyethoxymethyl]-2,6-dimethylheptane

C26H54O3 — CID 135274521

IUPAC4-ethyl-4-[2-[2-ethyl-4-methyl-2-(2-methylpropyl)pentyl]peroxyethoxymethyl]-2,6-dimethylheptane
SMILESCCC(COCCOOCC(CC)(CC(C)C)CC(C)C)(CC(C)C)CC(C)C
InChIInChI=1S/C26H54O3/c1-11-25(15-21(3)4,16-22(5)6)19-27-13-14-28-29-20-26(12-2,17-23(7)8)18-24(9)10/h21-24H,11-20H2,1-10H3
InChIKeyVWXPBOFKVCGGHM-UHFFFAOYSA-N
MW414.72 g/mol
LogP7.93
Rot. Bonds18

About 4-ethyl-4-[2-[2-ethyl-4-methyl-2-(2-methylpropyl)pentyl]peroxyethoxymethyl]-2,6-dimethylheptane

4-ethyl-4-[2-[2-ethyl-4-methyl-2-(2-methylpropyl)pentyl]peroxyethoxymethyl]-2,6-dimethylheptane (PubChem CID 135274521) has the molecular formula C26H54O3 and a molecular weight of 414.72 g/mol. Its IUPAC name is 4-ethyl-4-[2-[2-ethyl-4-methyl-2-(2-methylpropyl)pentyl]peroxyethoxymethyl]-2,6-dimethylheptane.

Molecular Properties

Compound Name4-ethyl-4-[2-[2-ethyl-4-methyl-2-(2-methylpropyl)pentyl]peroxyethoxymethyl]-2,6-dimethylheptane
PubChem CID135274521
Molecular FormulaC26H54O3
Molecular Weight414.72 g/mol
Exact Mass414.41
IUPAC Name4-ethyl-4-[2-[2-ethyl-4-methyl-2-(2-methylpropyl)pentyl]peroxyethoxymethyl]-2,6-dimethylheptane
SMILESCCC(COCCOOCC(CC)(CC(C)C)CC(C)C)(CC(C)C)CC(C)C
InChIInChI=1S/C26H54O3/c1-11-25(15-21(3)4,16-22(5)6)19-27-13-14-28-29-20-26(12-2,17-23(7)8)18-24(9)10/h21-24H,11-20H2,1-10H3
InChIKeyVWXPBOFKVCGGHM-UHFFFAOYSA-N
XLogP7.93
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.72
LogP ≤ 57.93
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 4-ethyl-4-[2-[2-ethyl-4-methyl-2-(2-methylpropyl)pentyl]peroxyethoxymethyl]-2,6-dimethylheptane 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

4-ethyl-2,6-dimethyl-4-(2-methylpropoxymethyl)heptane
CID 153290238
4,4-bis(ethoxymethyl)-2-methylhexane
CID 89107052
4-(but-3-ynoxymethyl)-2-methyl-4-(propan-2-yloxymethyl)hexane
CID 118372614
4,4-diethyl-2,7-dimethyloctane
CID 57492571
3-ethyl-3-(propoxymethyl)pentane
CID 21035931
2-[2-[2-[2-(2-aminoethoxy)ethoxymethyl]-2-[2,2-bis[2-(2-aminoethoxy)ethoxymethyl]butoxymethyl]butoxy]ethoxy]ethanamine
CID 176847062
2-[2,2-bis[2-(2-methylbutanoyloxy)ethoxymethyl]butoxy]ethyl 2-methylbutanoate
CID 131979541
2-(2-methylpropyl)-2-(2-propoxyethyl)propane-1,3-diol
CID 106459753
1,4-bis[2-(3-methylbutoxy)ethoxy]-2-[2-(3-methylbutoxy)ethoxymethyl]-2-[[4-[2-(3-methylbutoxy)ethoxy]-2-[2-[2-(3-methylbutoxy)ethoxy]ethoxymethyl]-2-[2-(3-methylbutoxy)ethoxymethyl]butoxy]methyl]butane
CID 166562519
1,3-bis(2-propan-2-yloxyethoxy)-2,2-bis(2-propan-2-yloxyethoxymethyl)propane
CID 54403721
3,3-bis(bromomethyl)-1-(2-methoxyethoxy)-5-methylhexane
CID 79452780
3-[[2-[[2-(2,2-diethylbutoxymethyl)-2-ethylbutoxy]methyl]-2-ethylbutoxy]methyl]-3-ethylpentane
CID 129159634

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-4-[2-[2-ethyl-4-methyl-2-(2-methylpropyl)pentyl]peroxyethoxymethyl]-2,6-dimethylheptane?
The IUPAC name of 4-ethyl-4-[2-[2-ethyl-4-methyl-2-(2-methylpropyl)pentyl]peroxyethoxymethyl]-2,6-dimethylheptane (CID 135274521) is 4-ethyl-4-[2-[2-ethyl-4-methyl-2-(2-methylpropyl)pentyl]peroxyethoxymethyl]-2,6-dimethylheptane.
What is the SMILES notation for 4-ethyl-4-[2-[2-ethyl-4-methyl-2-(2-methylpropyl)pentyl]peroxyethoxymethyl]-2,6-dimethylheptane?
The canonical SMILES for 4-ethyl-4-[2-[2-ethyl-4-methyl-2-(2-methylpropyl)pentyl]peroxyethoxymethyl]-2,6-dimethylheptane is CCC(COCCOOCC(CC)(CC(C)C)CC(C)C)(CC(C)C)CC(C)C.
What is the InChIKey of 4-ethyl-4-[2-[2-ethyl-4-methyl-2-(2-methylpropyl)pentyl]peroxyethoxymethyl]-2,6-dimethylheptane?
The InChIKey is VWXPBOFKVCGGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H54O3/c1-11-25(15-21(3)4,16-22(5)6)19-27-13-14-28-29-20-26(12-2,17-23(7)8)18-24(9)10/h21-24H,11-20H2,1-10H3.
What are the key properties of 4-ethyl-4-[2-[2-ethyl-4-methyl-2-(2-methylpropyl)pentyl]peroxyethoxymethyl]-2,6-dimethylheptane?
4-ethyl-4-[2-[2-ethyl-4-methyl-2-(2-methylpropyl)pentyl]peroxyethoxymethyl]-2,6-dimethylheptane has a molecular weight of 414.72 g/mol, XLogP of 7.93, 18 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-4-[2-[2-ethyl-4-methyl-2-(2-methylpropyl)pentyl]peroxyethoxymethyl]-2,6-dimethylheptane is sourced from PubChem (CID 135274521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).