3-ethoxyperoxydecane;1-ethoxyperoxydodecane;3-ethoxyperoxydodecane;3-ethoxyperoxynonane;3-ethoxyperoxyoctane;1-ethoxyperoxytridecane;1-ethoxyperoxyundecane;3-ethoxyperoxyundecane

C102H220O24 — CID 174798806

IUPAC3-ethoxyperoxydecane;1-ethoxyperoxydodecane;3-ethoxyperoxydodecane;3-ethoxyperoxynonane;3-ethoxyperoxyoctane;1-ethoxyperoxytridecane;1-ethoxyperoxyundecane;3-ethoxyperoxyundecane
SMILESCCCCCC(CC)OOOCC.CCCCCCC(CC)OOOCC.CCCCCCCC(CC)OOOCC.CCCCCCCCC(CC)OOOCC.CCCCCCCCCC(CC)OOOCC.CCCCCCCCCCCCCOOOCC.CCCCCCCCCCCCOOOCC.CCCCCCCCCCCOOOCC
InChIInChI=1S/C15H32O3.2C14H30O3.2C13H28O3.C12H26O3.C11H24O3.C10H22O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-17-18-16-4-2;1-4-7-8-9-10-11-12-13-14(5-2)16-17-15-6-3;1-3-5-6-7-8-9-10-11-12-13-14-16-17-15-4-2;1-4-7-8-9-10-11-12-13(5-2)15-16-14-6-3;1-3-5-6-7-8-9-10-11-12-13-15-16-14-4-2;1-4-7-8-9-10-11-12(5-2)14-15-13-6-3;1-4-7-8-9-10-11(5-2)13-14-12-6-3;1-4-7-8-9-10(5-2)12-13-11-6-3/h3-15H2,1-2H3;14H,4-13H2,1-3H3;3-14H2,1-2H3;13H,4-12H2,1-3H3;3-13H2,1-2H3;12H,4-11H2,1-3H3;11H,4-10H2,1-3H3;10H,4-9H2,1-3H3
InChIKeyXTUCAFOUSHOMKC-UHFFFAOYSA-N
MW1830.86 g/mol
LogP34.55
Rot. Bonds97

About 3-ethoxyperoxydecane;1-ethoxyperoxydodecane;3-ethoxyperoxydodecane;3-ethoxyperoxynonane;3-ethoxyperoxyoctane;1-ethoxyperoxytridecane;1-ethoxyperoxyundecane;3-ethoxyperoxyundecane

3-ethoxyperoxydecane;1-ethoxyperoxydodecane;3-ethoxyperoxydodecane;3-ethoxyperoxynonane;3-ethoxyperoxyoctane;1-ethoxyperoxytridecane;1-ethoxyperoxyundecane;3-ethoxyperoxyundecane (PubChem CID 174798806) has the molecular formula C102H220O24 and a molecular weight of 1830.86 g/mol. Its IUPAC name is 3-ethoxyperoxydecane;1-ethoxyperoxydodecane;3-ethoxyperoxydodecane;3-ethoxyperoxynonane;3-ethoxyperoxyoctane;1-ethoxyperoxytridecane;1-ethoxyperoxyundecane;3-ethoxyperoxyundecane.

Molecular Properties

Compound Name3-ethoxyperoxydecane;1-ethoxyperoxydodecane;3-ethoxyperoxydodecane;3-ethoxyperoxynonane;3-ethoxyperoxyoctane;1-ethoxyperoxytridecane;1-ethoxyperoxyundecane;3-ethoxyperoxyundecane
PubChem CID174798806
Molecular FormulaC102H220O24
Molecular Weight1830.86 g/mol
Exact Mass1829.60
IUPAC Name3-ethoxyperoxydecane;1-ethoxyperoxydodecane;3-ethoxyperoxydodecane;3-ethoxyperoxynonane;3-ethoxyperoxyoctane;1-ethoxyperoxytridecane;1-ethoxyperoxyundecane;3-ethoxyperoxyundecane
SMILESCCCCCC(CC)OOOCC.CCCCCCC(CC)OOOCC.CCCCCCCC(CC)OOOCC.CCCCCCCCC(CC)OOOCC.CCCCCCCCCC(CC)OOOCC.CCCCCCCCCCCCCOOOCC.CCCCCCCCCCCCOOOCC.CCCCCCCCCCCOOOCC
InChIInChI=1S/C15H32O3.2C14H30O3.2C13H28O3.C12H26O3.C11H24O3.C10H22O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-17-18-16-4-2;1-4-7-8-9-10-11-12-13-14(5-2)16-17-15-6-3;1-3-5-6-7-8-9-10-11-12-13-14-16-17-15-4-2;1-4-7-8-9-10-11-12-13(5-2)15-16-14-6-3;1-3-5-6-7-8-9-10-11-12-13-15-16-14-4-2;1-4-7-8-9-10-11-12(5-2)14-15-13-6-3;1-4-7-8-9-10-11(5-2)13-14-12-6-3;1-4-7-8-9-10(5-2)12-13-11-6-3/h3-15H2,1-2H3;14H,4-13H2,1-3H3;3-14H2,1-2H3;13H,4-12H2,1-3H3;3-13H2,1-2H3;12H,4-11H2,1-3H3;11H,4-10H2,1-3H3;10H,4-9H2,1-3H3
InChIKeyXTUCAFOUSHOMKC-UHFFFAOYSA-N
XLogP34.55
TPSA221.52 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds97
Heavy Atoms126
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001830.86
LogP ≤ 534.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

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 3-ethoxyperoxydecane;1-ethoxyperoxydodecane;3-ethoxyperoxydodecane;3-ethoxyperoxynonane;3-ethoxyperoxyoctane;1-ethoxyperoxytridecane;1-ethoxyperoxyundecane;3-ethoxyperoxyundecane with MolForge

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Related Compounds

3-ethoxyperoxypentadecane
CID 90109501
3-ethylperoxyperoxytridecane
CID 90108380
5-butoxyperoxydecane
CID 90111199
3-hydroperoxyperoxytetradecane
CID 140639805
1-butoxyperoxynonane
CID 90110144
3-icosan-3-yloxyicosane
CID 22595200
1-propoxyperoxyundecane
CID 90109462
3-pentadecan-3-yloxypentadecane
CID 57200588
3,7-didodecoxydodecane
CID 123502949
1-butylperoxyperoxynonane
CID 90169675
6-octoxyundecane
CID 20520524
10-decoxyicosane
CID 150196888

Frequently Asked Questions

What is the IUPAC name of 3-ethoxyperoxydecane;1-ethoxyperoxydodecane;3-ethoxyperoxydodecane;3-ethoxyperoxynonane;3-ethoxyperoxyoctane;1-ethoxyperoxytridecane;1-ethoxyperoxyundecane;3-ethoxyperoxyundecane?
The IUPAC name of 3-ethoxyperoxydecane;1-ethoxyperoxydodecane;3-ethoxyperoxydodecane;3-ethoxyperoxynonane;3-ethoxyperoxyoctane;1-ethoxyperoxytridecane;1-ethoxyperoxyundecane;3-ethoxyperoxyundecane (CID 174798806) is 3-ethoxyperoxydecane;1-ethoxyperoxydodecane;3-ethoxyperoxydodecane;3-ethoxyperoxynonane;3-ethoxyperoxyoctane;1-ethoxyperoxytridecane;1-ethoxyperoxyundecane;3-ethoxyperoxyundecane.
What is the SMILES notation for 3-ethoxyperoxydecane;1-ethoxyperoxydodecane;3-ethoxyperoxydodecane;3-ethoxyperoxynonane;3-ethoxyperoxyoctane;1-ethoxyperoxytridecane;1-ethoxyperoxyundecane;3-ethoxyperoxyundecane?
The canonical SMILES for 3-ethoxyperoxydecane;1-ethoxyperoxydodecane;3-ethoxyperoxydodecane;3-ethoxyperoxynonane;3-ethoxyperoxyoctane;1-ethoxyperoxytridecane;1-ethoxyperoxyundecane;3-ethoxyperoxyundecane is CCCCCC(CC)OOOCC.CCCCCCC(CC)OOOCC.CCCCCCCC(CC)OOOCC.CCCCCCCCC(CC)OOOCC.CCCCCCCCCC(CC)OOOCC.CCCCCCCCCCCCCOOOCC.CCCCCCCCCCCCOOOCC.CCCCCCCCCCCOOOCC.
What is the InChIKey of 3-ethoxyperoxydecane;1-ethoxyperoxydodecane;3-ethoxyperoxydodecane;3-ethoxyperoxynonane;3-ethoxyperoxyoctane;1-ethoxyperoxytridecane;1-ethoxyperoxyundecane;3-ethoxyperoxyundecane?
The InChIKey is XTUCAFOUSHOMKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O3.2C14H30O3.2C13H28O3.C12H26O3.C11H24O3.C10H22O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-17-18-16-4-2;1-4-7-8-9-10-11-12-13-14(5-2)16-17-15-6-3;1-3-5-6-7-8-9-10-11-12-13-14-16-17-15-4-2;1-4-7-8-9-10-11-12-13(5-2)15-16-14-6-3;1-3-5-6-7-8-9-10-11-12-13-15-16-14-4-2;1-4-7-8-9-10-11-12(5-2)14-15-13-6-3;1-4-7-8-9-10-11(5-2)13-14-12-6-3;1-4-7-8-9-10(5-2)12-13-11-6-3/h3-15H2,1-2H3;14H,4-13H2,1-3H3;3-14H2,1-2H3;13H,4-12H2,1-3H3;3-13H2,1-2H3;12H,4-11H2,1-3H3;11H,4-10H2,1-3H3;10H,4-9H2,1-3H3.
What are the key properties of 3-ethoxyperoxydecane;1-ethoxyperoxydodecane;3-ethoxyperoxydodecane;3-ethoxyperoxynonane;3-ethoxyperoxyoctane;1-ethoxyperoxytridecane;1-ethoxyperoxyundecane;3-ethoxyperoxyundecane?
3-ethoxyperoxydecane;1-ethoxyperoxydodecane;3-ethoxyperoxydodecane;3-ethoxyperoxynonane;3-ethoxyperoxyoctane;1-ethoxyperoxytridecane;1-ethoxyperoxyundecane;3-ethoxyperoxyundecane has a molecular weight of 1830.86 g/mol, XLogP of 34.55, 97 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxyperoxydecane;1-ethoxyperoxydodecane;3-ethoxyperoxydodecane;3-ethoxyperoxynonane;3-ethoxyperoxyoctane;1-ethoxyperoxytridecane;1-ethoxyperoxyundecane;3-ethoxyperoxyundecane is sourced from PubChem (CID 174798806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).