4-ethyl-4-[2-(4-ethyl-2,6-dimethylheptan-4-yl)peroxyethoxy]-2,6-dimethylheptane

C24H50O3 — CID 135274570

IUPAC4-ethyl-4-[2-(4-ethyl-2,6-dimethylheptan-4-yl)peroxyethoxy]-2,6-dimethylheptane
SMILESCCC(CC(C)C)(CC(C)C)OCCOOC(CC)(CC(C)C)CC(C)C
InChIInChI=1S/C24H50O3/c1-11-23(15-19(3)4,16-20(5)6)25-13-14-26-27-24(12-2,17-21(7)8)18-22(9)10/h19-22H,11-18H2,1-10H3
InChIKeyBQYTZZBXZUOQBU-UHFFFAOYSA-N
MW386.66 g/mol
LogP7.43
Rot. Bonds16

About 4-ethyl-4-[2-(4-ethyl-2,6-dimethylheptan-4-yl)peroxyethoxy]-2,6-dimethylheptane

4-ethyl-4-[2-(4-ethyl-2,6-dimethylheptan-4-yl)peroxyethoxy]-2,6-dimethylheptane (PubChem CID 135274570) has the molecular formula C24H50O3 and a molecular weight of 386.66 g/mol. Its IUPAC name is 4-ethyl-4-[2-(4-ethyl-2,6-dimethylheptan-4-yl)peroxyethoxy]-2,6-dimethylheptane.

Molecular Properties

Compound Name4-ethyl-4-[2-(4-ethyl-2,6-dimethylheptan-4-yl)peroxyethoxy]-2,6-dimethylheptane
PubChem CID135274570
Molecular FormulaC24H50O3
Molecular Weight386.66 g/mol
Exact Mass386.38
IUPAC Name4-ethyl-4-[2-(4-ethyl-2,6-dimethylheptan-4-yl)peroxyethoxy]-2,6-dimethylheptane
SMILESCCC(CC(C)C)(CC(C)C)OCCOOC(CC)(CC(C)C)CC(C)C
InChIInChI=1S/C24H50O3/c1-11-23(15-19(3)4,16-20(5)6)25-13-14-26-27-24(12-2,17-21(7)8)18-22(9)10/h19-22H,11-18H2,1-10H3
InChIKeyBQYTZZBXZUOQBU-UHFFFAOYSA-N
XLogP7.43
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.66
LogP ≤ 57.43
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'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-4-[2-(4-ethyl-2,6-dimethylheptan-4-yl)peroxyethoxy]-2,6-dimethylheptane?
The IUPAC name of 4-ethyl-4-[2-(4-ethyl-2,6-dimethylheptan-4-yl)peroxyethoxy]-2,6-dimethylheptane (CID 135274570) is 4-ethyl-4-[2-(4-ethyl-2,6-dimethylheptan-4-yl)peroxyethoxy]-2,6-dimethylheptane.
What is the SMILES notation for 4-ethyl-4-[2-(4-ethyl-2,6-dimethylheptan-4-yl)peroxyethoxy]-2,6-dimethylheptane?
The canonical SMILES for 4-ethyl-4-[2-(4-ethyl-2,6-dimethylheptan-4-yl)peroxyethoxy]-2,6-dimethylheptane is CCC(CC(C)C)(CC(C)C)OCCOOC(CC)(CC(C)C)CC(C)C.
What is the InChIKey of 4-ethyl-4-[2-(4-ethyl-2,6-dimethylheptan-4-yl)peroxyethoxy]-2,6-dimethylheptane?
The InChIKey is BQYTZZBXZUOQBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50O3/c1-11-23(15-19(3)4,16-20(5)6)25-13-14-26-27-24(12-2,17-21(7)8)18-22(9)10/h19-22H,11-18H2,1-10H3.
What are the key properties of 4-ethyl-4-[2-(4-ethyl-2,6-dimethylheptan-4-yl)peroxyethoxy]-2,6-dimethylheptane?
4-ethyl-4-[2-(4-ethyl-2,6-dimethylheptan-4-yl)peroxyethoxy]-2,6-dimethylheptane has a molecular weight of 386.66 g/mol, XLogP of 7.43, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-4-[2-(4-ethyl-2,6-dimethylheptan-4-yl)peroxyethoxy]-2,6-dimethylheptane is sourced from PubChem (CID 135274570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).